6FPW
Structure of fully reduced Hydrogenase (Hyd-1)
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 | 2017-05-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.835, 97.729, 182.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.460 - 1.350 |
| R-factor | 0.116 |
| Rwork | 0.114 |
| R-free | 0.14400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lmm |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.661 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.700 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.113 | 1.160 |
| Number of reflections | 366570 | |
| <I/σ(I)> | 7.8 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 296 | 100 mM bis-tris pH 5.7 200 mM LiSO4 150 mM NaCl 19-22% PEG 3350 |
