5VQ4
Nitrogenase Av1 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 | 2016-03-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.315, 128.859, 108.359 |
| Unit cell angles | 90.00, 110.89, 90.00 |
Refinement procedure
| Resolution | 39.540 - 2.300 |
| R-factor | 0.17031 |
| Rwork | 0.168 |
| R-free | 0.22242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.390 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.540 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.174 | 0.720 |
| Number of reflections | 91309 | 4527 |
| <I/σ(I)> | 9.2 | 3.1 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 6.7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4000, sodium chloride, imidazole/malate, sodium dithionite |
