6FPI
Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q
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 | 93.820, 97.730, 183.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.510 - 1.500 |
| R-factor | 0.146 |
| Rwork | 0.145 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lmm |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.673 |
| 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] | 83.510 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.108 | 1.570 |
| Number of reflections | 263161 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 98.2 | 96.8 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 296 | 100 mM Bis-tris pH 5.5-5.9, 200 mM LiSO4, 150 mM NaCl 19-22% PEG 3350 |
