7QQA
MgADP-bound Fe protein of the iron-only nitrogenase from Azotobacter vinelandii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-16 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 48.677, 80.366, 80.024 |
Unit cell angles | 68.57, 75.85, 76.03 |
Refinement procedure
Resolution | 73.480 - 1.790 |
R-factor | 0.1995 |
Rwork | 0.197 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q93 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.501 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.480 | 1.990 |
High resolution limit [Å] | 1.790 | 1.800 |
Number of reflections | 67524 | 3377 |
<I/σ(I)> | 6.9 | |
Completeness [%] | 90.5 | |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.05 M magnesium chloride, 0.1 M HEPES/NaOH pH7.0, PEG 550 |