6GAN
Structure of fully reduced Hydrogenase (Hyd-2) variant E14Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.804, 100.402, 168.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.280 - 1.600 |
| R-factor | 0.16382 |
| Rwork | 0.162 |
| R-free | 0.19038 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eqh |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.723 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 168.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.130 | 1.350 |
| Rpim | 0.065 | 0.640 |
| Number of reflections | 222822 | 10935 |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 6.1 | 6.2 |
| CC(1/2) | 0.995 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 296 | 100 mM Bis-tris pH 5.9 200 mm MgCl2 19-22% PEG 3350 |
