[ccp4bb] NCS information from different crystal parameters?

2013-07-11 Thread Yuan SHANG
the crystal packings in A and B are overall similar, there seems to be another P21 axis in crystal A, which may help to determine the NCS parameters during phasing as there are two moleculars in the ASU. Could anyone help to tell me how to derive the NCS parameters? Best regards, Yuan SHANG

[ccp4bb] Methods to reduce the model bias and increase the SAD phase

2013-07-11 Thread Yuan SHANG
Dear All, I got a Se-crystal diffracted to 3.3A. The protein is predicted to be a coiled coil. After I got the heavy atom positions from a shelxd based programs from AutoRickShaw, I run phaser and phenix.autobuild to get a initial phase shown in the attachment. I fit a standard helix into the

[ccp4bb] How to split a dataset with PST?

2013-02-25 Thread Yuan SHANG
Dear all, currently, I have a data set scaled in P22121 which containing a PST of (0.5,0.5,0.111). The structure were successfully solved by molecular replacement. However, the R free factors remained as high as ~33% in the refinement. I search the literature and found that it was common to

[ccp4bb] Did anyone here know how to get the Rfree value of high resolution range

2010-02-26 Thread Yuan SHANG
Hi,all, I can get the R-value~resolution statistics from .lst file,but where is the Rfree value? Thanks in advance. Yuan