4WES
Nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 1.08 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-08-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8856, 1.734, 1.742 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.701, 170.581, 87.540 |
Unit cell angles | 90.00, 91.63, 90.00 |
Refinement procedure
Resolution | 38.930 - 1.080 |
R-factor | 0.11088 |
Rwork | 0.110 |
R-free | 0.13287 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.641 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.930 | 1.140 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.064 | 0.803 |
Number of reflections | 842744 | |
<I/σ(I)> | 9.7 | 1.6 |
Completeness [%] | 93.0 | 88.7 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG 3350, 0.2 M lithium citrate |