3H3X
Structure of the V74M large subunit mutant of NI-FE hydrogenase in an oxidized state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97623 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.400, 99.200, 182.300 |
Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yqw |
RMSD bond length | 0.014 |
RMSD bond angle | 1.451 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.051 | 0.288 |
Number of reflections | 60250 | |
<I/σ(I)> | 15.18 | 4.31 |
Completeness [%] | 98.7 | 98.1 |
Redundancy | 3.42 | 3.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG6000, GLYCEROL, pH6.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K |