5BVG
Selenium incorporated nitrogenase MoFe-protein (Av1-Se2B) from A. vinelandii
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 | 2015-05-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.582, 130.825, 107.128 |
| Unit cell angles | 90.00, 108.85, 90.00 |
Refinement procedure
| Resolution | 101.380 - 1.600 |
| R-factor | 0.15292 |
| Rwork | 0.152 |
| R-free | 0.17913 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.760 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.151 | 0.795 |
| Number of reflections | 256394 | |
| <I/σ(I)> | 9.5 | 2.3 |
| Completeness [%] | 97.8 | 97.8 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 8000, NaCl, Imidazole/Malate, Sodiumdithionite |
