2VXH
The crystal structure of chlorite dismutase: a detox enzyme producing molecular oxygen
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-15 |
Detector | ADSC CCD |
Wavelength(s) | 0.98340, 1.73990, 1.73820 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 164.458, 169.335, 60.792 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.680 - 2.100 |
R-factor | 0.2205 |
Rwork | 0.219 |
R-free | 0.25486 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.298 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CRANK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.130 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.110 | 0.410 |
Number of reflections | 100003 | |
<I/σ(I)> | 3.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.8 | 14.09 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 100 MM MES PH 5.5, 25 %(W/V) PEG MME 2000, 0.3 M KSCN, 5 %(V/V) GLYCEROL, 180 MM AMMONIUM SULPHATE |