8POU
Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.65 A Resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976250 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.231, 95.740, 120.005 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.920 - 1.650 |
R-factor | 0.13323 |
Rwork | 0.132 |
R-free | 0.16127 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.178 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.920 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 101451 | 16026 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.7 | |
Redundancy | 4.8 | |
CC(1/2) | 0.990 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 277 | 20% - 30% PEG3350, 0.1M BIS-TRIS PH 5.5 |