3R9U
Thioredoxin-disulfide reductase from Campylobacter jejuni.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 154.006, 163.571, 66.876 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.100 - 2.360 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24720 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.806 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.100 | 50.000 | 2.400 |
High resolution limit [Å] | 2.360 | 6.400 | 2.360 |
Rmerge | 0.105 | 0.061 | 0.841 |
Number of reflections | 35153 | ||
<I/σ(I)> | 8.4 | 2.09 | |
Completeness [%] | 99.8 | 97.7 | 99.7 |
Redundancy | 6.9 | 5.5 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M MES buffer, 30% PEG-4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |