1UBR
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 BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-17 |
Detector | MARRESEARCH |
Wavelength(s) | 0.700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.080, 126.010, 66.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.340 |
R-factor | 0.133 * |
Rwork | 0.121 |
R-free | 0.17200 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1h2r |
RMSD bond length | 0.012 |
RMSD bond angle | 0.074 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.577 | 1.420 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.090 | 0.521 |
Number of reflections | 181748 | |
Completeness [%] | 98.6 | 90.5 |
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 |