3U7Q
A. vinelandii nitrogenase MoFe protein at atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.190, 130.696, 107.224 |
| Unit cell angles | 90.00, 110.67, 90.00 |
Refinement procedure
| Resolution | 47.457 - 1.000 |
| R-factor | 0.12932 |
| Rwork | 0.128 |
| R-free | 0.14603 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m1n |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.541 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.457 | 1.090 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.100 | 0.687 |
| Number of reflections | 1112854 | |
| <I/σ(I)> | 8.6 | 1.5 |
| Completeness [%] | 99.1 | 98.3 |
| Redundancy | 6.43 | 5.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 16.5% v/v PEG6000, 0.55 M sodium chloride, 12.5% v/v MPD, 1.5% v/v xylitol, 0.2 M imidazole/malate buffer, pH 8.0, 0.1 mM Zwittergent 3-14, 0.55 mM spermine, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
