5VQ3
Nitrogenase Cp1 at pH 6.5
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 | 2015-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.477, 147.963, 116.694 |
| Unit cell angles | 90.00, 103.51, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.720 |
| R-factor | 0.16058 |
| Rwork | 0.159 |
| R-free | 0.18488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wes |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.521 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.460 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.105 | 0.684 |
| Number of reflections | 238230 | 11793 |
| <I/σ(I)> | 13.5 | 2.7 |
| Completeness [%] | 98.5 | 98.6 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | PEG 3350, magnesium chloride, Tris/HCl, sodium dithionite |
