6QO0
I47W mutated sulfur oxygenase reductase from Acidianus ambivaens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 158.160, 158.160, 227.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 113.800 - 1.650 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.800 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.148 | 4.272 |
| Rpim | 0.157 | 0.133 |
| Number of reflections | 199561 | 14480 |
| <I/σ(I)> | 29.2 | 1.4 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 59.4 | 56.8 |
| CC(1/2) | 1.000 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 298 | 0.1 sodium acetate pH 4.2, 2 M sodium formate |
