5LRY
E coli [NiFe] Hydrogenase Hyd-1 mutant E28D
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 | 2016-04-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.756, 98.746, 185.243 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.790 - 1.400 |
| R-factor | 0.14708 |
| Rwork | 0.146 |
| R-free | 0.16294 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb 4usc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.665 |
| Data reduction software | DIALS (1.2.0) |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.136 | 1.453 |
| Number of reflections | 337237 | |
| <I/σ(I)> | 9.5 | 1.4 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 6.4 | 6.4 |
| CC(1/2) | 0.997 | 0.515 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 293 | 100 mM Tris pH 8.1, 20-24 % PEG 3350 200 mM LiSO4 150 mM NaCl |
