6QMV
E87D sulfur oxygenase reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9779 |
| Spacegroup name | I 4 |
| Unit cell lengths | 161.920, 161.920, 154.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.118 - 1.870 |
| R-factor | 0.1597 |
| Rwork | 0.159 |
| R-free | 0.19260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cb2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.906 |
| 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] | 45.970 | 1.980 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmeas | 0.090 | 0.577 |
| Rpim | 0.042 | 0.225 |
| Number of reflections | 163003 | 25653 |
| <I/σ(I)> | 14.78 | 2.84 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 305 | 0.2 M ADA pH 6, 3-5% glycerol |
