4IUB
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-09 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91842 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.903, 95.390, 118.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.050 - 1.610 |
R-factor | 0.13009 |
Rwork | 0.128 |
R-free | 0.16577 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rgw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.287 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.050 | 1.700 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.059 | 0.475 |
Number of reflections | 107786 | |
<I/σ(I)> | 14.9 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 283 | 20-30% PEG3350, 100 mM Bis-Tris methane, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |