6QK2
R2-like ligand-binding oxidase Y715F 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) | 1.000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 129.119, 97.794, 55.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.592 - 1.596 |
R-factor | 0.1739 |
Rwork | 0.173 |
R-free | 0.18980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hr4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.052 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.596 | 1.600 |
Rmerge | 0.064 | 0.805 |
Rmeas | 0.070 | 0.878 |
Number of reflections | 94346 | 14804 |
<I/σ(I)> | 15.29 | 1.97 |
Completeness [%] | 99.4 | 97.6 |
Redundancy | 6.5 | 6.3 |
CC(1/2) | 0.998 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 30% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.4 |