2XTS
Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus
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 | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 31 |
| Unit cell lengths | 122.970, 122.970, 76.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 1.330 |
| R-factor | 0.107 |
| Rwork | 0.107 |
| R-free | 0.11110 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.499 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.040 | 0.260 |
| Number of reflections | 273185 | |
| <I/σ(I)> | 11.8 | 2.6 |
| Completeness [%] | 92.0 | 88.2 |
| Redundancy | 1.8 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4% (W/V) MPEG 5000, 40 MM TRIS-HCL (PH 8), 20 MM CA-ACETATE, 10 MM CO(III)-HEXAMINECHLORIDE |
