6QNE
Y102G mutated sulfur oxygenase reductase from Acidianus ambivalens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | I 4 |
| Unit cell lengths | 161.321, 161.321, 154.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.330 - 1.800 |
| R-factor | 0.1663 |
| Rwork | 0.166 |
| R-free | 0.20580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qmv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.046 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.330 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.025 | 0.985 |
| Rpim | 0.008 | 0.028 |
| Number of reflections | 179725 | 29116 |
| <I/σ(I)> | 11.58 | 1.4 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 3.87 | 3.97 |
| CC(1/2) | 0.998 | 0.564 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1 M sodium acetate pH 4.6, 2 M sodium formate |
