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 |