6F6E
R2-like ligand-binding oxidase V72A 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 | 2015-07-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.516, 55.654, 70.054 |
| Unit cell angles | 90.00, 114.11, 90.00 |
Refinement procedure
| Resolution | 43.570 - 1.627 |
| R-factor | 0.1759 |
| Rwork | 0.175 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hr4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.033 | 0.724 |
| Rmeas | 0.039 | 0.862 |
| Number of reflections | 67293 | 8822 |
| <I/σ(I)> | 17.82 | 1.41 |
| Completeness [%] | 91.9 | 75 |
| Redundancy | 3.4 | 3.1 |
| CC(1/2) | 0.999 | 0.789 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 20% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.0, streak-seeded with crystals of the wild-type protein |
