3K1A
Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-21 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.8900 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.019, 129.458, 107.088 |
Unit cell angles | 90.00, 109.01, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.230 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.25433 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2min |
RMSD bond length | 0.011 |
RMSD bond angle | 3.226 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.230 | 2.230 |
Number of reflections | 187881 | |
<I/σ(I)> | 11.8 | |
Completeness [%] | 99.9 | |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8 | 298 | 30% PEG 4000, 100mM Tris-HCl pH 8.0, 170-190mM Sodium molybdate and 1mM Dithionite, LIQUID DIFFUSION, temperature 298.0K |