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 |
