8E3V
Cobalt-reconstituted nitrogenase MoFeP mutant S188A from Azotobacter vinelandii after IDS oxidation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.60388, 1.61223 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.127, 130.039, 107.760 |
Unit cell angles | 90.00, 109.12, 90.00 |
Refinement procedure
Resolution | 80.170 - 2.000 |
R-factor | 0.1844 |
Rwork | 0.182 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2min |
RMSD bond length | 0.007 |
RMSD bond angle | 1.051 |
Data reduction software | iMOSFLM |
Data scaling software | pointless |
Phasing software | PHENIX (1.19.1-4122) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.170 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.134 | 0.635 |
Number of reflections | 127562 | 6261 |
<I/σ(I)> | 8.9 | 2.6 |
Completeness [%] | 94.4 | 93 |
Redundancy | 6.3 | 6 |
CC(1/2) | 0.993 | 0.725 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 20% PEG 8000, 100 mM Tris pH 7.75, 500 mM NaCl, 10 mM dithionite |