3MYR
Crystal structure of [NiFe] hydrogenase from Allochromatium vinosum in its Ni-A state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 205.750, 216.960, 119.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.13952 |
| Rwork | 0.138 |
| R-free | 0.16811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wui |
| RMSD bond length | 0.027 |
| RMSD bond angle | 1.936 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.060 | 2.190 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.057 | 0.296 |
| Number of reflections | 295408 | |
| <I/σ(I)> | 18.5 | 4.9 |
| Completeness [%] | 95.0 | 90.2 |
| Redundancy | 4.16 | 4.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | Imidazole, sodium citrate, pH 8.0, VAPOR DIFFUSION, temperature 277K |
