5Y34
Membrane-bound respiratory [NiFe]-hydrogenase from Hydrogenovibrio marinus in a ferricyanide-oxidized condition
Replaces: 3AYYExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.628, 116.943, 113.337 |
| Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.320 |
| R-factor | 0.13199 |
| Rwork | 0.131 |
| R-free | 0.15804 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ayx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.347 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.340 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.496 | |
| Number of reflections | 459508 | |
| <I/σ(I)> | 12.6 | 3.2 |
| Completeness [%] | 99.2 | 97.3 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M PIPES, 15% PEG 3350, 300MM LITHIUM SULFATE, 5MM DTT, PH 6.5 |
