4D7L
Methionine sulfoxide reductase A of Corynebacterium diphtheriae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 86.395, 140.175, 140.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.291 - 1.895 |
| R-factor | 0.1555 |
| Rwork | 0.154 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ff3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.229 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.150 | 0.900 |
| Number of reflections | 67677 | |
| <I/σ(I)> | 11.79 | 2.27 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 8.85 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M NA CACODYLATE PH 7.0, 0.35 M AMMONIUM SULFATE, 16% PEG8000 |
