4BK8
Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-14 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 108.995, 108.995, 61.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.196 - 1.847 |
R-factor | 0.1788 |
Rwork | 0.178 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PRELIMINARY MODEL FROM SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.051 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.100 | 0.920 |
Number of reflections | 18718 | |
<I/σ(I)> | 18.23 | 2.14 |
Completeness [%] | 98.6 | 98 |
Redundancy | 11.6 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 85 MM TRISHCL PH 8.5, 8.5 MM NICL2, 15%(V/V) PEG 2000 MONOMETHYL ETHER AND 15%(V/V) GLYCEROL |