5AA5
Actinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16 at 2.85 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.780, 267.971, 144.686 |
| Unit cell angles | 90.00, 106.58, 90.00 |
Refinement procedure
| Resolution | 45.965 - 2.497 |
| R-factor | 0.1898 |
| Rwork | 0.187 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cc1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.970 | 2.586 |
| High resolution limit [Å] | 2.497 | 2.497 |
| Rmerge | 0.170 | 1.760 |
| Number of reflections | 200461 | |
| <I/σ(I)> | 7.17 | 0.55 |
| Completeness [%] | 97.4 | 80.5 |
| Redundancy | 3.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 17.5% PEG 4000, 160 MM IMIDAZOLE- MALONATE, PH 7.0, 15% 2R,3R-BUTANDIOL AS CRYO- PROTECTANT |
