4BRJ
Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis T24K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-18 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 108.857, 108.857, 61.694 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.136 - 2.500 |
R-factor | 0.1773 |
Rwork | 0.174 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bk8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.102 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.100 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.070 | 1.330 |
Number of reflections | 7868 | |
<I/σ(I)> | 18.4 | 1.4 |
Completeness [%] | 90.0 | 91.7 |
Redundancy | 8.6 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 85MM TRISHCL PH 8.5, 8.5MM NICL2, 15% (V/V) PEG 2000 MONOMETHYLETHER AND 15% (V/V) GLYCEROL. |