7MCI
MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor
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 | 2020-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.834, 73.995, 208.766 |
| Unit cell angles | 90.00, 103.05, 90.00 |
Refinement procedure
| Resolution | 38.220 - 1.650 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.19520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.940 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rpim | 0.089 | 0.841 |
| Number of reflections | 292285 | 14452 |
| <I/σ(I)> | 3.4 | 0.6 |
| Completeness [%] | 98.4 | 98.7 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.991 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1M CHC (pH5), 0.16M ammonium acetate, 25.6% (v/v) glycerol, 2% MPD, 0.1M CsCl, 1mM Dithiothreitol, 5mM Eu-EGTA, 16% PEG smear high |
