4TKV
CO-bound Nitrogenase MoFe-protein from A. vinelandii
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 | 2014-03-06 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.172, 130.623, 106.996 |
Unit cell angles | 90.00, 110.65, 90.00 |
Refinement procedure
Resolution | 38.740 - 1.500 |
R-factor | 0.13855 |
Rwork | 0.138 |
R-free | 0.15430 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.717 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.740 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 326010 | |
<I/σ(I)> | 13.8 | 1.7 |
Completeness [%] | 98.2 | 98 |
Redundancy | 6.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | PEG4000, NaCl, imidazole/malate, Glycerol, sodium dithionite |