6I94
R2-like ligand-binding oxidase G68L mutant with non-activated Mn/Mn cofactor (after aerobic reconstitution with Mn and Fe)
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 | 2012-11-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.815, 97.200, 126.921 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.792 - 1.703 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.20050 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hr0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.042 |
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 | 1.810 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.034 | 0.566 |
Rmeas | 0.040 | 0.684 |
Number of reflections | 37827 | 5904 |
<I/σ(I)> | 18.05 | 1.71 |
Completeness [%] | 99.0 | |
Redundancy | 3.5 | 2.7 |
CC(1/2) | 0.999 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 27.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.5 |