6O0B
Structural and Mechanistic Insights into CO2 Activation by Nitrogenase Iron Protein
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 | 2016-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97557 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.071, 93.045, 60.796 |
Unit cell angles | 90.00, 98.88, 90.00 |
Refinement procedure
Resolution | 38.270 - 1.600 |
R-factor | 0.2065 |
Rwork | 0.206 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g1m |
RMSD bond length | 0.007 |
RMSD bond angle | 0.804 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.270 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rpim | 0.046 | 1.321 |
Number of reflections | 81373 | 5737 |
<I/σ(I)> | 8 | |
Completeness [%] | 98.1 | 98 |
Redundancy | 6 | 6.1 |
CC(1/2) | 0.995 | 0.452 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8 | 295 | PEG 4000, sodium chloride, Tris, Glycerol |