2C3P
CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM Desulfovibrio africanus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2002-12-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.966, 145.840, 210.822 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.370 - 2.330 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kek |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.010 | 0.030 |
| Number of reflections | 524442 | |
| <I/σ(I)> | 11.73 | 5.37 |
| Completeness [%] | 97.5 | 95.6 |
| Redundancy | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 10% PEG6000, 100MM MGCL2, 100MM NA CACODYLATE PH 6 |
