5MDL
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.134, 95.568, 119.686 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.780 - 1.410 |
R-factor | 0.13312 |
Rwork | 0.132 |
R-free | 0.16320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rgw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.260 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.780 | 1.490 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmerge | 0.064 | 0.681 |
Number of reflections | 155314 | |
<I/σ(I)> | 10.7 | 2 |
Completeness [%] | 96.4 | 94.4 |
Redundancy | 4.8 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 20-30% PEG3350, 0.1M BIS-TRIS pH 5.5-6.5 |