5CX1
Nitrogenase molybdenum-iron protein beta-K400E mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2014-04-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 175.502, 144.595, 177.747 |
| Unit cell angles | 90.00, 114.27, 90.00 |
Refinement procedure
| Resolution | 38.682 - 1.748 |
| R-factor | 0.2026 |
| Rwork | 0.198 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m1n |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.010 | 1.780 |
| High resolution limit [Å] | 1.748 | 1.748 |
| Rmerge | 0.120 | 0.560 |
| Number of reflections | 793848 | |
| <I/σ(I)> | 7.4 | 2 |
| Completeness [%] | 95.6 | 87.5 |
| Redundancy | 5.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100 mM Tris pH 8, 600 mM NaCl, 18% PEG 10000, 5 mM sodium dithionite |
