[ccp4bb] on space group P 3 2 1

2020-09-25 Thread Smith Lee
Dear All, For pdb ID 1g4a, it is of space group P 3 2 1. In the paper for this pdb (Crystal Structures of the HslVU Peptidase–ATPase Complex Reveal an ATP-Dependent Proteolysis Mechanism), it has been configured to compact hexamer from the pdb 1g4a, with the pdb 1g4a can be regarded from a dimer

Re: [ccp4bb] symmetry and pdb remark

2017-02-01 Thread Smith Lee
En records (seehttp://deposit.rcsb.org/adit/docs/pdb_atom_format.html, for example). Hope that helps. Cheers,Jared   On Feb 1, 2017, at 10:00 PM, Smith Lee <0459ef8548d5-dmarc-requ...@jiscmail.ac.uk> wrote: Dear All, I have a symmetry problem, which I hope I can get your help. For both P

[ccp4bb] symmetry and pdb remark

2017-02-01 Thread Smith Lee
Dear All, I have a symmetry problem, which I hope I can get your help. For both PDB 2zan and 2zam, they are for the same protein, they conformation were similar except that 2zam was apo and 2zam was ATP binding. 2zaz was got by soaking the 2zam crystal with ATP. Both were P65 space group Howeve

[ccp4bb] on how to use pdbset to get the symmetry mate coordinate

2017-01-20 Thread Smith Lee
Dear All, I have a pdb with P 65 space group.  6 equipoint transformations (X)'=[R]*(X)+(T) : | +-+ | R(11) R(12) R(13) R(21) R(22) R(23) R(31) R(32) R(33) T(1) T(2) T(3) | | 1.0

Re: [ccp4bb] on space group

2017-01-18 Thread Smith Lee
Dear All, Here may I make my question much clear? For the space group P 65 crystal, it seems we can call it "6-fold packing of subunits around a screw axis in the crystal". Then for the space group P 64 crystal, can it also be called "6-fold packing of subunits around a screw axis in the crystal

[ccp4bb] on space group

2017-01-18 Thread Smith Lee
Dear All, In the literature, somebody call space group P65 crystal as  "six fold screw axis crystal packing", then I would not make any mistake if I call P64 space group crystal also as  "six fold screw axis crystal packing",am I right? I am looking forward to getting a reply from you. Smith

[ccp4bb] on crystal packing

2017-01-15 Thread Smith Lee
Dear All, For space group P65 crystal, we can call it "six fold screw axis crystal packing", then how can we call space group P64 crystal? And  how can we call space group P212121? Smith

[ccp4bb] on Cell & Symmetry in coot

2016-12-09 Thread Smith Lee
  Dear All, There is a pdb, once opended in coot, it was a monomer (space group   P 65 2 2 ). But in the correspondence paper, it writes, "the subunits form a continuous helix with a six-fold screw axis". I have tried to view with Coot the "six-fold screw axis" formed by 6 monomers. But in the "

[ccp4bb] on NCS restraint

2015-04-16 Thread Smith Lee
Dear All, If a protein contains 6 subunits, 4 subunits from the same sequence (subunit A, B, C, D all from the same sequence), each of the 2 other subunits from 2 diffrent sequences (subunit E from the second sequence, subunit F from the third sequence), in this situation should I use NCS restr

Re: [ccp4bb] how to recover my data

2015-03-05 Thread Smith Lee
g it > impossible to read with any of the CCP4 MTZ utilities.  If you can understand > exactly what the technician did you may be able to reverse it and recover the > binary data. > > > Hope this helps! > > > Cheers > > > -- Ian > > > On 5 March 2015 at

[ccp4bb] on the contour level of mtz file and mrc file by coot

2015-03-05 Thread Smith Lee
Dear All,When we open either the mtz file or the mrc file by coot, we can rely on the contour level of the map (in the Map Settings of the Display Manager of the coot) to vary the thickness of the map.For peptide build by coot based on the crystal mtz file, if the contour level of the map is to

[ccp4bb] how to recover my data

2015-03-04 Thread Smith Lee
Dear All, Recently my computer hardware has been broken and all the data has been recovered to movable hardware by technician. However I find the recovered PDB file and the MTZcould not be openned by Coot. Then I open the revovered PDB file by WordPad, and from WordPad I copied it to notepad an

[ccp4bb] How to recover my data

2015-03-04 Thread Smith Lee
Dear All, Recently my computer hardware has been broken and all the data has been recovered to movable hardware by technician. However I find the recovered PDB file and the MTZcould not be openned by Coot. Then I open the revovered PDB file by WordPad, and from WordPad I copied it to notepad an

[ccp4bb] The discrepancy for determination of Ramachandran outliers by Coot and MolProbity

2015-02-18 Thread Smith Lee
Dear All, It often finds for the Ramachandran favored determined by Coot, MolProbity regards as Ramachandran outliers. There are earlier posts regards Coot and MolProbity has different database for the determination of the Ramachandran plots. Then will you please let me know the correct way to c

[ccp4bb] Hydrogen adding and real space refinement

2015-02-12 Thread Smith Lee
Dear All, I find when I add H in the PDB file, in a refinement by Phenix, there is no real space refinement step (rsrl). If I do not add H in the PDB file, there is the rsrl step in the refinement. Somebody told me it was because there was a bug in the Phenix I downloaded, somebody told me if H

[ccp4bb] Question on sca file

2015-02-06 Thread Smith Lee
Dear All, I have a sca file. Will you please tell me by which software or how I can know whether the sca file contains R-free tags? If not, by which software or how I can add the R-free tags? And how much of the reflections I add the R-free tags? I am looking forward to getting your reply. Smith