[ccp4bb] Symmetry operator

2013-01-10 Thread james09 pruza
Hi, Which program outputs the symmetry operator (rotation and translation)? I have a dimer in the asymmetric unit and need to know the symmetry operator to get a tetramer, the active molecule. James

[ccp4bb] Fedora 16 CCP4-6.3.0 installation problem:

2012-08-04 Thread james09 pruza
Dear All, Fedora 16 CCP4-6.3.0 installation problem: The configure output shows- zlib library not found. The package seems to be installed and latest as checked by yum install zlib Package zlib-1.2.5-6.fc16.x86_64 already installed and latest version. checking for g++ option to produce PIC...

[ccp4bb] CCP4-6.3.0 installation

2012-08-04 Thread james09 pruza
Dear CCP4bbers, I am facing CCP4-6.3.0 installation problem. Unable to run make. Configuration is done. Getting error while running make (command not found). Please help. Thanks in advance, James

[ccp4bb] Protein concentration vs Molecular wt...

2012-07-19 Thread james09 pruza
Dear Crystallographers, Is there any rule of thumb for Protein concentration and molecular weight for crystallization trials of a soluble protein? Looking for high molecular wt. protein ~50kDa. James.

Re: [ccp4bb] Matthews coeff. from model

2012-03-12 Thread james09 pruza
Dear CCP4bbers, > > Is there any tool to calculate the Matthews coefficient from a > crystallographic model of RNA-protein complex? > > Thanking you. > James. >

[ccp4bb] weight matrix and R-FreeR gap optimization

2011-11-07 Thread james09 pruza
Dear ccp4bbers, I wonder if someone can help me defining proper weight matrix term in Refmac5 to lower the R-FreeR gap. The log file indicates weight matrix of 1.98 with a gap of 7. Thanks for suggestions in advance. James

[ccp4bb] No reflections in resolution bin???"

2011-08-04 Thread james09 pruza
Dear CCP4BBers, Refmac is giving the error " No reflections in resolution bin???" It seems there is no SigFP column. I wonder how to fix the problem. Thanks in advance. James

[ccp4bb] maximum B-factor of metal ion

2010-04-27 Thread james09 pruza
Dear All, What would be the range of B-factor (Maximum temperature factor) for a metal in a protein-metal complex? Thanks in advance for the help. James...

[ccp4bb] increse atom radius in chimera

2010-03-02 Thread james09 pruza
Dear All, Sorry for the non-ccp4 query. I am looking for an option to increase the atom radius in chimera. Can anyone help me out? Thanking you. James

[ccp4bb] How to save LSQ output in coot

2010-02-28 Thread james09 pruza
Dear all, I just wonder, How to save the LSQ output in coot. Thanks in advance. J...

[ccp4bb] Coot- Find water

2010-01-29 Thread james09 pruza
Dear CCP4BBers, The find water option in coot is not picking up more that 10 water molecules but density is there. How can it be sorted out?? Please help. Thanks. James...

[ccp4bb] R-sym and R-merge

2010-01-21 Thread james09 pruza
Dear All CCP4bbers, Please help me in finding *R-sym I *(observed), *R-merge I*(obseved), *R-Free Error i*n the data provided below. If I am not wrong, Can anyone suggest me the difference between R-sym and R-merge? Thanks in advance for the help. James* * R-values of internal consistency : ==

[ccp4bb] DPI

2010-01-18 Thread james09 pruza
Dear ccp4bbers, Can anyone suggests the acceptable range of DPI value as an coordinated error and except sfcheck, what other programs calculate it? Thanks in advance. James...

[ccp4bb] parameters defining crystallographic model quality

2010-01-18 Thread james09 pruza
Dear all, What are the standard methods for the crystallographic model judgment? What parameters should be included in the final refinement statistics in relation to the model error? What is Cruinkshank DPI and how can it be calculated and what information it gives about the quality of the model?

[ccp4bb] refmac5 not refining metal ion

2009-12-31 Thread james09 pruza
Dear All, I am using Refmac5 and have metal in the structure. The refmac program is not reading this from the library file and hence not refining this metal ion. What is the way to solve this problem. Thanks in advance. J...

[ccp4bb] number of peaks in molecular replacement.

2009-12-29 Thread james09 pruza
Dear All, Wish you all a very Happy New Year, 2010. Can anyone give me some information regarding the number of peaks in molecular replacement. What is the co-relation between no of peaks and the solution in molecular replacement and where the no. of peaks are indicated in molrep or phaser progr

[ccp4bb] How to reduce R-factor and Free-R

2009-12-18 Thread james09 pruza
Dear All, I am trying to solve a 2.55 A resolution data set. The R-factor is around 24% while Free-R is 30%. The Residues in most favourable region is 95% while additionally allowed region is 5%. What are the ways to reduce the R-factor and Free-R? Around 100 water molecules are placed. Thanks in

[ccp4bb] -RTlnK = delH - TdelS

2009-11-18 Thread james09 pruza
Dear All, Sorry for the non-ccp4 query. I have solved a crystal structure of an enzyme and woring on its biochemical aspect. We have a mutant of this enzyme and we are comparing some thermodynamic parameters of this enzyme with mutant( lke delH and delS, delG). we have done the expt at different te

[ccp4bb] automar

2009-11-02 Thread james09 pruza
Dear All, I need help regarding installing Automar in ferora. After gunzip and untar the file when I run automar/autiomar-install , it says commant not found. Can anyone suggest why it is happening and its solution. Thanks james

[ccp4bb] Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime.

2009-10-31 Thread james09 pruza
Dear All, Please suggest the Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime. In one of the journal I got it is 0.97905 A and Phenix manual shows f_prime and f_doubleprime to be -3 and 4 respectively. How can one deduce f_prime and f_doubleprime for any HA at a particula

[ccp4bb] SeMet Peak wavelength and f_prime and f_doubleprime

2009-10-31 Thread james09 pruza
Dear All, Please suggest the Peak wavelength of SeMet and the corresponding f_prime and f_doubleprime. In one of the journal I got it is 0.97905 A and Phenix manual shows f_prime and f_doubleprime to be -3 and 4 respectively. How can one deduce f_prime and f_doubleprime for any HA at a particula

[ccp4bb] SAD phasing at home source

2009-10-26 Thread james09 pruza
Dear All, I need some suggestions regarding the SAD phasing using home source. What the the most commonly used HA for SAD phasing for Cu anode. All suggestions are welcome. Thanks. James

[ccp4bb] Phase separation to crystals

2009-10-17 Thread james09 pruza
Dear CCP4bbers, Surprisingly, only At pH 3.6 the needles are appearing after 3 days but they are very thin and long rods. I have checked it running SDS-PAGE as well as using IZIT dye . Since the proteins has already 50mM of NaCl so I added 100mM of NaCl in the crystallization mix. The crystal app

[ccp4bb] Phase separation to crystals

2009-10-17 Thread james09 pruza
Dear all, I need suggestions regarding phase separation. Upon adding NaCl (100mM) in the crystallization mixture, the full-fledged oiling is observed after 2 days at 4 degree with long needles (pH 3.6). The Protein contains 50mM of NaCl. What are the general procedures to get the crystals from oil

[ccp4bb] To get the crystal faster...

2009-10-11 Thread james09 pruza
Dear crystallographers, Sorry for the non-ccp4 query. I am new to this field and need some suggestions. My question is, why some protein takes longer time to crystallize, say 6-8 months, and it is the only condition to get the crystals.? What are the ways to get the crystals faster. The crystal a

[ccp4bb] Preparation of seed-stocks without seed-beads

2009-09-12 Thread james09 pruza
Dear CCP4bbers, Can anyone suggests how to make seed-stocks if one is not having seed-beads... Is there any other methods to crush the crystals for the same purpose. What if it is simple vortexed. Off-course there wold be all sorts of sizes, the intact crystals as well. Please suggest. Thanks a l

[ccp4bb] stabilizing solution

2009-09-06 Thread james09 pruza
Dear CCP4bbers, Please comment on the stabilizing solution for seed stocks. If the crystal is in 30% MPD and coming after 2-3 days, what should be the stabilizing solution for seeding. Thanks. James

[ccp4bb] stacked thin plates

2009-09-03 Thread james09 pruza
Deal all, Sorry for the non-ccp4 query once again. I need suggestions regarding the improvement in crystal quality. I have crystallized a protein in MPD. The crystals grow like a thin plates and the plates are stacked together. So, the mosaicity is very high and also indexing is difficult even at

[ccp4bb] long needles

2009-08-25 Thread james09 pruza
Dear all, Sorry for the non-ccp4 question. Recently I have got some long needle of on 35 kDa protein with 65% MPD at 4 degree C at pH 3.6 (50 mM NaOAc buffer). The protein contains 50mM of salt. The florets are very thin. I need some suggestions regarding the optimization of the crystallization co

[ccp4bb] Florets- How to improve it

2009-05-18 Thread james09 pruza
Deal all, Sorry for the non-ccp4 query. I am new to this field and need some suggestions regarding the improvement in the crystallization qual I have crystallized a protein with 65% MPD in 0.1M Acetate buffer pH 3.6 at 4 degree. The florets appear after 2 days and covers the whole drop. What shou