4U9I
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 | 2012-09-25 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.850, 99.690, 122.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 1.060 |
| R-factor | 0.111 |
| Rwork | 0.110 |
| R-free | 0.13180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wui |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1388)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.090 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rmerge | 0.040 | 0.646 |
| Number of reflections | 648452 | |
| <I/σ(I)> | 12 | 1.3 |
| Completeness [%] | 94.8 | 78.1 |
| Redundancy | 2.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | MPD |
