8Q5X
MgADP-bound Fe protein of the molybdenum nitrogenase from Methanococcus maripaludis
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 | 2020-12-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.99999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.546, 111.094, 78.820 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 46.890 - 1.700 |
R-factor | 0.1618 |
Rwork | 0.160 |
R-free | 0.18590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.913 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.820 | 1.860 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.219 | 1.232 |
Rmeas | 0.237 | 1.336 |
Rpim | 0.090 | 0.511 |
Number of reflections | 94344 | 4718 |
<I/σ(I)> | 7.5 | 1.6 |
Completeness [%] | 94.2 | 57.6 |
Redundancy | 6.9 | 6.6 |
CC(1/2) | 0.992 | 0.468 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | The purified protein was crystallised at a final concentration of 13 mg/ml with 2 mM ATP and 2 mM MgCl2 by spotting 0.7 ul of crystallisation solution with 0.7 ul of protein sample. Crystallisation was done anaerobically in a Coy tent containing N2/H2 (97:3%) atmosphere. The screening was done at 20 degrees Celsius on 96-Well MRC 2-drop polystyrene (SWISSCI) plates containing 90 ul of crystallisation solution. The crystallisation solution in which crystals were obtained contained 20 % w/v polyethylene glycol 3000, 100 mM Tris pH 7.0 and 200 mM calcium acetate. The crystal was soaked in the crystallisation solution supplemented with 20% glycerol prior to freezing in liquid nitrogen. |