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 |