2VPZ
Polysulfide reductase native structure
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.405, 166.265, 246.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.830 - 2.400 |
| R-factor | 0.249 |
| Rwork | 0.249 |
| R-free | 0.25300 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.700 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.110 | 0.580 |
| Number of reflections | 178522 | |
| <I/σ(I)> | 6.1 | 1.7 |
| Completeness [%] | 93.5 | 88.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 30% PEG400, 0.1M MES PH6.5, 0.2M CACL2 |
