6I95
R2-like ligand-binding oxidase G68L mutant with anaerobically reconstituted Mn/Fe cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.958, 97.602, 127.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.801 - 1.646 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20370 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hr4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.101 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.750 |
High resolution limit [Å] | 1.646 | 1.646 |
Rmerge | 0.039 | 0.941 |
Rmeas | 0.042 | 1.018 |
Number of reflections | 41902 | 6490 |
<I/σ(I)> | 23.09 | 2 |
Completeness [%] | 98.1 | 95.2 |
Redundancy | 6.6 | 6.7 |
CC(1/2) | 0.999 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 27.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.4 |