4WES
Nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 1.08 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8856, 1.734, 1.742 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.701, 170.581, 87.540 |
| Unit cell angles | 90.00, 91.63, 90.00 |
Refinement procedure
| Resolution | 38.930 - 1.080 |
| R-factor | 0.11088 |
| Rwork | 0.110 |
| R-free | 0.13287 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.641 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.930 | 1.140 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.064 | 0.803 |
| Number of reflections | 842744 | |
| <I/σ(I)> | 9.7 | 1.6 |
| Completeness [%] | 93.0 | 88.7 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG 3350, 0.2 M lithium citrate |
