3USE
Crystal Structure of E. coli hydrogenase-1 in its as-isolated form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.94645 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.930, 97.790, 183.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.820 - 1.670 |
| R-factor | 0.1222 |
| Rwork | 0.120 |
| R-free | 0.16840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.239 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.740 |
| High resolution limit [Å] | 1.670 | 30.000 | 1.670 |
| Rmerge | 0.062 | 0.380 | |
| Number of reflections | 194962 | 38 | 43425 |
| <I/σ(I)> | 11.78 | 2.46 | |
| Completeness [%] | 98.3 | 60.3 | 98.9 |
| Redundancy | 1.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | PEG4000, LiSO4, DTT, DMM, pH 8.5, vapor diffusion, temperature 298K |
