2JI2
X-ray structure of E114A mutant of superoxide reductase from Desulfoarculus baarsii in the native, reduced form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-12 |
Detector | ADSC CCD |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.470, 82.870, 201.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.400 - 1.700 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vzi |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.400 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.340 |
Number of reflections | 62357 | |
<I/σ(I)> | 10.1 | 4 |
Completeness [%] | 95.4 | 82.8 |
Redundancy | 4.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 16% PEG 4000, 100 MM TRIS/HNO3 PH9.0, 0.2 M CA(NO3)2 AND 25MG/ML PROTEIN MIXED 1:1 HANGING DROP VAPOUR DIFFUSION, 20 C, pH 9.00 |