7JMA
Crystal structure of the apo form of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus
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 | 2019-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.890, 57.890, 143.519 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.100 - 1.700 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y1x |
RMSD bond length | 0.006 |
RMSD bond angle | 0.841 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.600 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.041 | 1.219 |
Number of reflections | 27742 | 3932 |
<I/σ(I)> | 9.7 | 1.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 18.1 | 18.4 |
CC(1/2) | 0.997 | 0.416 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 293 | 0.1M MIB (pH5) 25 % w/v PEG 1500 |