4UWQ
Crystal structure of the disulfide-linked complex of the thiosulfodyrolase SoxB with the carrier-protein SoxYZ from Thermus thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-28 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 70.220, 115.950, 120.940 |
Unit cell angles | 86.51, 83.21, 89.77 |
Refinement procedure
Resolution | 59.810 - 3.280 |
R-factor | 0.2696 |
Rwork | 0.269 |
R-free | 0.27470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 2WDF 1V8H AND AN UNPUBLISHED SOXY STRUCTURE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.840 |
Data reduction software | XDS (THROUGH XIA2) |
Data scaling software | Aimless (THROUGH XIA2) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.810 | 3.370 |
High resolution limit [Å] | 3.280 | 3.280 |
Rmerge | 0.090 | 0.300 |
Number of reflections | 112492 | |
<I/σ(I)> | 7.9 | 1.9 |
Completeness [%] | 98.7 | 98.4 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | 0.1M TRIS-HCL, 0.2M (NH4)2SO4, 8.55% PEG 8000, PH 8.3 |