6F65
R2-like ligand-binding oxidase A171F mutant with aerobically 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 | 55.966, 97.196, 128.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.500 - 1.948 |
R-factor | 0.1787 |
Rwork | 0.177 |
R-free | 0.20710 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hr0 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.094 |
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 | 2.070 |
High resolution limit [Å] | 1.948 | 1.948 |
Rmerge | 0.045 | 0.877 |
Rmeas | 0.052 | 1.034 |
Number of reflections | 25690 | 4075 |
<I/σ(I)> | 15.33 | 1.47 |
Completeness [%] | 98.7 | 98.2 |
Redundancy | 3.7 | 3.4 |
CC(1/2) | 0.999 | 0.604 |
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 |