6SYX
Hydrogenase-2 variant R479K - reduced sample exposed to pure oxygen
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.729, 101.332, 170.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.133 - 1.300 |
| Rwork | 0.147 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6en9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.924 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.133 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.190 | 1.940 |
| Rmeas | 0.210 | 2.000 |
| Rpim | 0.090 | 0.930 |
| Number of reflections | 423495 | 20494 |
| <I/σ(I)> | 8 | 1.5 |
| Completeness [%] | 99.5 | |
| Redundancy | 10.4 | |
| CC(1/2) | 0.990 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 100mM Bis-tris pH 6.5, 200 mM MgCl2, 18-21% PEG 3350 |
