4U9H
Ultra High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-13 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.530, 97.950, 125.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.636 - 0.890 |
| R-factor | 0.096 |
| Rwork | 0.096 |
| R-free | 0.10630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wui |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.659 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9pre_1669)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.900 | 0.910 |
| High resolution limit [Å] | 0.890 | 0.890 |
| Rmerge | 0.069 | 0.940 |
| Number of reflections | 1167454 | |
| <I/σ(I)> | 16.5 | 1.1 |
| Completeness [%] | 95.8 | 84.4 |
| Redundancy | 8.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | MPD |
