1VZI
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 ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-23 |
Detector | ADSC CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 123.608, 123.608, 73.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 1.150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 0.034 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | |
High resolution limit [Å] | 1.150 | |
Rmerge | 0.050 | 0.410 |
Number of reflections | 93621 | |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.0 | 98.1 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 18% PEG 4000, 100 MM TRIS PH 8.0, 100 MM CACL2 |