[phenixbb] Residue number error after autoMR or PhaserMR

Zhang yu phenixzyfish at gmail.com
Wed Apr 20 09:33:20 PDT 2011


Hi,

When I run MR in Phenix, I found that there is a numbering error in the
solution PDB file

The error is that Phenix numbers residues from 0 again when the residue
numbers are over 999, though they belong to the same chain.

For example

"ATOM  11504  N   HIS    C 999     -37.389  50.436  57.144  1.00
56.62           N
ATOM  11505  CA  HIS    C 999     -36.908  51.569  57.924  1.00
60.55           C
ATOM  11506  C   HIS     C 999     -37.438  51.479  59.337  1.00
61.73           C
ATOM  11507  O   HIS     C 999     -38.648  51.484  59.549  1.00
60.99           O
ATOM  11508  CB  HIS    C 999     -37.382  52.895  57.326  1.00
63.09           C
ATOM  11509  CG  HIS    C 999     -36.353  53.577  56.478  1.00
66.67           C
ATOM  11510  ND1 HIS   C 999     -35.280  52.912  55.925  1.00
68.12           N
ATOM  11511  CD2 HIS   C 999     -36.247  54.865  56.070  1.00
68.95           C
ATOM  11512  CE1 HIS   C 999     -34.559  53.762  55.214  1.00
69.21           C
ATOM  11513  NE2 HIS   C 999     -35.122  54.953  55.285  1.00
69.80           N
ATOM  11514  N   MET    C   0     -36.544  51.378  60.309  1.00
64.17           N
ATOM  11515  CA  MET   C   0     -36.992  51.355  61.688  1.00
66.45           C
ATOM  11516  C   MET    C   0     -37.290  52.797  62.083  1.00
68.10           C
ATOM  11517  O   MET    C   0     -37.018  53.716  61.302  1.00
68.58           O
ATOM  11518  CB  MET   C   0     -35.903  50.763  62.605  1.00
67.35           C
ATOM  11519  CG  MET   C   0     -36.051  49.272  62.997  1.00
67.14           C
ATOM  11520  SD  MET   C   0     -36.534  48.947  64.735  1.00
65.84           S
ATOM  11521  CE  MET   C   0     -35.169  49.744  65.675  1.00
66.20           C
ATOM  11522  N   VAL     C   1     -37.840  53.015  63.272  1.00
69.46           N
ATOM  11523  CA  VAL    C   1     -38.160  54.373  63.711  1.00
69.99           C
ATOM  11524  C   VAL     C   1     -36.911  55.251  63.875  1.00
70.28           C
ATOM  11525  O   VAL     C   1     -37.029  56.452  64.122  1.00
70.20           O
ATOM  11526  CB  VAL    C   1     -38.908  54.379  65.057  1.00
70.57           C
ATOM  11527  CG1 VAL   C   1     -40.322  53.847  64.873  1.00
71.16           C
ATOM  11528  CG2 VAL   C   1     -38.148  53.537  66.061  1.00
70.54           C"

Does anyone has idea about it?

Thanks

Yu Zhang
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