7A76
Bacillithiol Disulfide Reductase Bdr (YpdA) from Bacillus cereus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 88.731, 114.900, 146.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.230 - 1.650 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3.5 A SELENO-SAD BCYPDA MODEL |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.817 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.400 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.076 | 0.810 |
| Rmeas | 0.086 | 0.915 |
| Number of reflections | 175671 | 8583 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 97.8 | 96.3 |
| Redundancy | 4.5 | 4.7 |
| CC(1/2) | 0.989 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH = 7.0, 10% w/v PEG 8000 |
