8POX
Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the H2-reduced state at 1.6 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 | 2013-02-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.208, 95.688, 119.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.780 - 1.600 |
R-factor | 0.12878 |
Rwork | 0.127 |
R-free | 0.15582 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.780 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.076 | |
Number of reflections | 111418 | 17741 |
<I/σ(I)> | 9.5 | 2.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.4 | 4.4 |
CC(1/2) | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 283 | 20% - 30% PEG3350, 0.1M BIS-TRIS PH 5.5 |