[ccp4bb] strange unit cell

2013-10-25 Thread 유상헌
Hi, I tried to find out a correct space group using the program Zanuda. Surprisingly, Zanuda suggested a space group P42212 but not P21 and cubic ones. The unit cell of P42212 was 104.240 104.240 104.209 90.00 90.00 90.00. The number of molecules in an AU was 1, while there were 4 molecules

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread Alexander Aleshin
crystal which weighted between 0.5 - 1.0 kg. It grew suspend on a mountain boots shoelace of the read colour. Sounds like a crystallographic legend, beautiful but never achievable… Happy Halloween! Alexander Aleshin Sanford-Burnham Medical Research Institute La Jolla, California On Oct 25, 201

Re: [ccp4bb] In need of SGI computer genius

2013-10-25 Thread Johan Hattne
On Oct 25, 2013, at 11:14 , David Roberts wrote: > Hello all, > > OK - small school - old NMR (really old). We set this up around 14 years ago > with an O2 system as the user interface, with an indigo system as the > interface between the O2 and the NMR. This is a JEOL system, has really bee

Re: [ccp4bb] In need of SGI computer genius

2013-10-25 Thread Sabuj Pattanayek
Does this help? http://www.nekochan.net/wiki/Headless Not sure, how you'd set it to output to the serial port with the commands if you can't see what you're doing in the first place though. Otherwise you'll have to look for a graphics card that'll work in an indigo, a ps/2 keyboard & mouse, and a

[ccp4bb] In need of SGI computer genius

2013-10-25 Thread David Roberts
Hello all, OK - small school - old NMR (really old). We set this up around 14 years ago with an O2 system as the user interface, with an indigo system as the interface between the O2 and the NMR. This is a JEOL system, has really been a workhorse with little issues over the last 14 years.

Re: [ccp4bb] Unusual electron density - any guesses??

2013-10-25 Thread Patel, Joe
Is that a glycine in the sequence next to the Glu/Gln? Have you tried building a 50% occ of the backbone in that region in two conformations, and then a water molecule further up into the feature. The density over the carbonyl looks weak and you have some negative density there that might indi

[ccp4bb] Unusual electron density - any guesses??

2013-10-25 Thread Jose Artur Brito
Dear All, I'm refining an X-ray structure to 1.6A resolution in BUSTER-TNT v2.10. The model is pretty much finished but I see a strange electron density that I can't imagine what it is. Please take a look at four snapshots in http://www.itqb.unl.pt/~jbrito/ITQB/ . Any pointers/guesses are mos

[ccp4bb] CCP4-6.4.0 Update 001

2013-10-25 Thread Andrey Lebedev
Dear CCP4 Users, An update for the new CCP4-6.4.0 series has just been released, consisting of the following changes: • Qt libraries (Mac, Linux): critical fixes for some Mac OSX setups and for KDE desktops • TclTk libraries (Linux): recompiled to be made functional on CentOS4 • TclTk libraries

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread R. M. Garavito
Felix, Although I have passed through George's lab at UCSD several times, I have not seen that crystal, but it should be pointed out that George's interests did extend beyond photosynthesis. Some of us older folks remember George's contributions to protein crystal growth, both theoretical and

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread Felix Frolow
I guess that this crystal was never tested with any X-ray source. After all George is a physicist who study photosynthesis processes by spectroscopic methods. However (unrelated but connected) I have collected once a data set from a see urchin needle which was 1 cm long, about 3 mm across (p

Re: [ccp4bb] Tool to compute F/FP from F(+) / F(-)

2013-10-25 Thread Pete Meyer
Rojan Shrestha wrote: What is the tool in CCP4 to calculate F from F(+) and F(-) with their standard deviations? mtzMADmod

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread Derek Logan
Hi Felix, What was the mosaicity of this crystal? The absorption correction must have been challenging too... Derek On 25 Oct 2013, at 13:23, Felix Frolow mailto:mbfro...@post.tau.ac.il>> wrote: Well if we start recalling rumours, I have heard that in UC San Diego in the laboratory of Geo

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread Felix Frolow
Well if we start recalling rumours, I have heard that in UC San Diego in the laboratory of George Feher there was (is) a tetragonal hen egg white lysozyme crystal which weighted between 0.5 - 1.0 kg. It grew suspend on a mountain boots shoelace of the read colour. I have never visited Georg

[ccp4bb] Postdoctoral position available @ EMBL-Hamburg, SAXS

2013-10-25 Thread margret
Dear All, I would like to inform you that a postdoctoral position is available at the EMBL Hamburg Unit in the research group of Dmitri Svergun. I attach a brief description of the Vacancy Notice below. Deadline for application is 15th December 2013. Further Detailed Information can be found un

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Harry Powell
Hi Sangheon As others have said, there is nothing that stops a cell being monoclinic with those cell dimensions - indeed, there is nothing stopping it being triclinic, orthorhombic or tetragonal either (or even rhombohedral, for those of us who like to describe it with non-hexagonal axes). Wh

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Mark J van Raaij
Dear Sangheon, you don't say which cubic space group you tried, perhaps you tried the wrong one? Did Pointless indicate a clear preference? Between P23 and P213 for instance you can tell by systematic absences along h (if they were collected ok), but between I23 and I213 the only option is to try

[ccp4bb] השב: Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread Boaz Shaanan
Hi, Referring to the Hb crystal that Bill Scott saw in the MRC crystal growing room (by now "tho old one" I guess), is that the one that was sitting in the largest part of the Pasteur pipette? I recall this one and I keep telling my students about it when they ask about crystal size limit

Re: [ccp4bb] Tool to compute F/FP from F(+) / F(-)

2013-10-25 Thread Phil Evans
That won't work. Aimless expects intensities not Fs. I would think you could do it with sftools Phil On 25 Oct 2013, at 09:54, Tim Gruene wrote: > -BEGIN PGP SIGNED MESSAGE- > Hash: SHA1 > > Dear Rojan, > > I would try aimless with the option 'onlymerge'. > > Best, > Tim > > On 10/

Re: [ccp4bb] Tool to compute F/FP from F(+) / F(-)

2013-10-25 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Rojan, I would try aimless with the option 'onlymerge'. Best, Tim On 10/25/2013 09:33 AM, Rojan Shrestha wrote: > Hello, > > > > What is the tool in CCP4 to calculate F from F(+) and F(-) with > their standard deviations? > > > > Regards,

[ccp4bb] Deadline looming for Travel bursaries for CCP4 Study Weekend 2014

2013-10-25 Thread Karen McIntyre
The deadline for applications for travel bursaries for students and young post-docs from non-UK laboratories to help them to attend the CCP4 Study Weekend is drawing close. A reminder all applications must be received by 31st October 2013. More details (taken from Study Weekend website) are de

[ccp4bb] AW: [ccp4bb] strange unit cell

2013-10-25 Thread Herman . Schreuder
Dear Sangheon, there is no law that forbids P21 crystals to have a~b~c and beta~90°. It only does not happen very often. So your solution can be correct. You may want to analyze your crystal packing with ccp4 program Zanuda, to see if a higher symmetry space group could be used. Best regards, H

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Graeme Winter
You could try putting this into the Zanuda server http://www.ysbl.york.ac.uk/YSBLPrograms/ which will search for possible correct spacegroups given the coordinates and structure factors. There are however no reasons why you can't have a pseudo-cubic monoclinic lattice, however "unlikely" it is.

[ccp4bb] Tool to compute F/FP from F(+) / F(-)

2013-10-25 Thread Rojan Shrestha
Hello, What is the tool in CCP4 to calculate F from F(+) and F(-) with their standard deviations? Regards, Rojan

Re: [ccp4bb] largest protein crystal ever grown?

2013-10-25 Thread Simon . Phillips
Hi Derek, That brings back memories. I am pretty certain that is the myoglobin crystal that was already on Benno's shelf at Brookhaven when I went there in 1980 to collect my oxymyoglobin neutron data. It would the metmyoglobin crystal Benno got the early neutron data from. He just kept it o