1WUK
High resolution Structure Of The Oxidized State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.71 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.291, 125.843, 66.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.100 |
R-factor | 0.096 |
Rwork | 0.094 |
R-free | 0.12300 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.016 |
RMSD bond angle | 0.031 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.690 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.085 | 0.329 |
Number of reflections | 322193 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 283 | MPD, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 283K |