1YQ9
Structure of the unready oxidized form of [NiFe] 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 | IMAGE PLATE |
Collection date | 1996-08-26 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 62.750, 93.440, 69.030 |
Unit cell angles | 89.33, 102.41, 90.95 |
Refinement procedure
Resolution | 13.000 - 2.350 |
R-factor | 0.135 |
Rwork | 0.132 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2frv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.088 |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.800 | 2.450 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 58639 | |
<I/σ(I)> | 8.4 | |
Completeness [%] | 86.2 | 78.2 |
Redundancy | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.3 | 293 | PEG8000, sodium chloride, N,N-dimethyl dodecylamine N-oxide, glycerol, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.30 |