1YQW
Structure of the Oxidized Unready Form of Ni-Fe Hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-04-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.410, 99.700, 182.830 |
| Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.830 |
| R-factor | 0.14821 |
| Rwork | 0.146 |
| R-free | 0.18467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1frf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.156 |
| Data reduction software | CCP4 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 169544 | |
| <I/σ(I)> | 11.8 | 2.5 |
| Completeness [%] | 83.1 | 68.5 |
| Redundancy | 3.06 | 3.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | PEG 6000, glycerol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
