6F6B
R2-like ligand-binding oxidase A171F mutant with anaerobically reconstituted Mn/Fe cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.983, 98.065, 127.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.618 - 2.009 |
R-factor | 0.1834 |
Rwork | 0.181 |
R-free | 0.22550 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hr4 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.402 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.009 | 2.009 |
Rmerge | 0.081 | 1.668 |
Rmeas | 0.088 | 1.811 |
Number of reflections | 23799 | 3753 |
<I/σ(I)> | 17.47 | 1.07 |
Completeness [%] | 99.7 | 98.7 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 0.999 | 0.437 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 30% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.5 |