1YRQ
Structure of the ready oxidized form of [NiFe]-hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-14 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 127.500, 99.700, 183.200 |
| Unit cell angles | 90.00, 91.80, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.339 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.27) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 233855 | |
| <I/σ(I)> | 9.7 | 4.4 |
| Completeness [%] | 87.5 | 61.9 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.3 | 293 | PEG 6000, MES buffer, glycerol, Tris-HCL, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.30 |
