6Z8O
Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Krypton gas - structure G491A-Kr
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 | 2017-09-27 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.716, 97.022, 121.318 |
Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
Resolution | 39.120 - 2.200 |
R-factor | 0.2282 |
Rwork | 0.226 |
R-free | 0.27470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jsk |
RMSD bond length | 0.004 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.900 | 2.560 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.093 | 0.668 |
Rpim | 0.053 | 0.404 |
Number of reflections | 33895 | 1695 |
<I/σ(I)> | 9.3 | 1.8 |
Completeness [%] | 49.1 | 7.5 |
Redundancy | 4 | 3.6 |
CC(1/2) | 0.998 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 20% PEG 1500 (w/v) and 0.1 mM Tris-HCl pH 7.6 |