6GAL
Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q collected at pH 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.906, 95.224, 183.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.120 - 1.250 |
| R-factor | 0.121 |
| Rwork | 0.120 |
| R-free | 0.14700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lmm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.619 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.000 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.095 | 0.960 |
| Number of reflections | 437084 | |
| <I/σ(I)> | 8.5 | 1.8 |
| Completeness [%] | 95.9 | 93.1 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 296 | 100 mM tris pH 8.1, 200 mm LiSO4 150 mM NaCl 19-21% PEG 3350 |
