Re: [ccp4bb] solve structure by molecular replacement

2010-03-08 Thread Eleanor Dodson
The best check for what to expect in an asymmetric unit is to run matthews. It works out the volume of your asymmetric unit, the volume your molecule should occupy ( based on mol. wt or number of residues) and indicates whether you could fit one, two and so on molecules into the cells asymmetr

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Jürgen Bosch
Your molecule seems to be titled towards at least one of the axis, so there's no problem with your dimensions in P21. Jürgen On Mar 7, 2010, at 7:40 PM, Chunmin L wrote: > Hi Jürgen, > > Many thanks for your message. Somehow Mosflm in CCP4 did not > recognize the images. Will try XDS. or d*

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Chunmin L
Hi Jürgen, Many thanks for your message. Somehow Mosflm in CCP4 did not recognize the images. Will try XDS. or d*TREK. Still no answers for that P21 one-molecule solution. It does not collide with itself. The model is about 60 A wide and 82 A long. Unit cell dimensions of a=50 b=51 c=252. i

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Ethan Merritt
On Sunday 07 March 2010, Jürgen Bosch wrote: > > On Mar 7, 2010, at 4:35 PM, Chunmin L wrote: > > I can not reprocess the data to > > check the systematic absence to determine the space group (I do not > > have the right software to reprocess the raw image at this time). > > What exactly do you

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Jürgen Bosch
On Mar 7, 2010, at 4:35 PM, Chunmin L wrote: > I can not reprocess the data to > check the systematic absence to determine the space group (I do not > have the right software to reprocess the raw image at this time). What exactly do you mean by that ? The world does not consist of HKL alone, t

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Chunmin L
Hi Dr. Merritt, Thank you very much for your reply. >> We are trying to solve a protein structure by molecular replacement. >> The protein crystal has unit cell dimensions of a=50 b=51 c=252, >> alpha=90 beta=90.4 gamma=90. > >> We processed the data both as P21 (two molecules in A. U.) > > OK >

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Ethan Merritt
On Sunday 07 March 2010, Ethan Merritt wrote: > On Sunday 07 March 2010, Chunmin L wrote: > > Dear All, > > > > We are trying to solve a protein structure by molecular replacement. > > The protein crystal has unit cell dimensions of a=50 b=51 c=252, > > alpha=90 beta=90.4 gamma=90. > > > We pro

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Ethan Merritt
On Sunday 07 March 2010, Chunmin L wrote: > Dear All, > > We are trying to solve a protein structure by molecular replacement. > The protein crystal has unit cell dimensions of a=50 b=51 c=252, > alpha=90 beta=90.4 gamma=90. > We processed the data both as P21 (two molecules in A. U.) OK > a

Re: [ccp4bb] solve structure by molecular replacement

2010-03-07 Thread Chunmin L
Dear All, We are trying to solve a protein structure by molecular replacement. The protein crystal has unit cell dimensions of a=50 b=51 c=252, alpha=90 beta=90.4 gamma=90. We processed the data both as P21 (two molecules in A. U.) and P21212 (one molecule in A. U.). We have built a model based