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 |