2C3O
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 BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-25 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.650, 145.236, 204.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.110 - 2.700 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kek |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
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] | 55.000 | 2.870 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 66272 | |
<I/σ(I)> | 12.17 | 6.52 |
Completeness [%] | 94.1 | 92.9 |
Redundancy | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 10% PEG6000, 100MM MGCL2, 100 MM NA CACODYLATE PH 6 |