1UBJ
Three-dimensional Structure of The Carbon Monoxide Complex 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 | IMAGE PLATE |
Collection date | 1999-04-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 0.7085 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.740, 125.860, 66.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.350 |
R-factor | 0.133 * |
Rwork | 0.121 |
R-free | 0.17500 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1h2r |
RMSD bond length | 0.012 |
RMSD bond angle | 0.070 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.420 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.068 | 0.525 |
Number of reflections | 142913 | |
Completeness [%] | 77.2 | 43.6 |
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 |