1VZH
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-29 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.130, 67.650, 82.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.490 - 1.690 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dfx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.490 | |
| High resolution limit [Å] | 1.690 | |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 26101 | |
| <I/σ(I)> | 11.7 | 3 |
| Completeness [%] | 97.8 | 93.9 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 18% PEG 4000, 100 MM TRIS PH 8.0, 100 MM CACL2 |
