5VPW
Nitrogenase Cp1 at pH 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.618, 146.282, 116.736 |
| Unit cell angles | 90.00, 103.55, 90.00 |
Refinement procedure
| Resolution | 39.200 - 1.850 |
| R-factor | 0.16907 |
| Rwork | 0.167 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wes |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.411 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.200 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.079 | 0.682 |
| Number of reflections | 189858 | 1197 |
| <I/σ(I)> | 11.6 | 2.5 |
| Completeness [%] | 98.4 | 95.4 |
| Redundancy | 6.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG 3350, magnesium chloride, Tris/HCl, sodium dithionite |
