6F6F
R2-like ligand-binding oxidase V72I 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 | 2016-10-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 55.583, 95.899, 127.877 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.089 - 1.788 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4hr0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.116 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.788 | 1.788 |
| Rmerge | 0.072 | 2.121 |
| Rmeas | 0.079 | 2.292 |
| Number of reflections | 32199 | 9412 |
| <I/σ(I)> | 13.29 | 0.78 |
| Completeness [%] | 98.3 | 94.7 |
| Redundancy | 6.6 | 6.3 |
| CC(1/2) | 0.999 | 0.158 |
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 |
