2VPY
Polysulfide reductase with bound quinone inhibitor, pentachlorophenol (PCP)
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 | 2006-11-27 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.124, 165.194, 243.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.580 - 2.500 |
| R-factor | 0.283 |
| Rwork | 0.283 |
| R-free | 0.28900 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.600 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | 0.630 |
| Number of reflections | 161065 | |
| <I/σ(I)> | 10.6 | 1.6 |
| Completeness [%] | 98.9 | 96.8 |
| Redundancy | 4.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 30% PEG400, 0.1M MES PH6.5, 0.2M CACL2 |
