4OCF
Crystal structure of the disulfide oxidoreductase DsbA (S30XXC33) active site mutant from Proteus mirabilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.990, 80.210, 114.450 |
Unit cell angles | 90.00, 91.06, 90.00 |
Refinement procedure
Resolution | 57.215 - 1.979 |
R-factor | 0.155 |
Rwork | 0.152 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oce |
RMSD bond length | 0.011 |
RMSD bond angle | 1.244 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.220 | 2.090 |
High resolution limit [Å] | 1.979 | 1.979 |
Rmerge | 0.073 | 0.155 |
Number of reflections | 47865 | |
<I/σ(I)> | 14.3 | 8.4 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | KSCN, PEG33500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |