2O85
S. Aureus thioredoxin P31T mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.717, 49.452, 54.473 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| Rwork | 0.196 |
| R-free | 0.24500 |
| Structure solution method | isomorphous substitution |
| Starting model (for MR) | 2o7k |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.359 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | not (applicable) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.058 | 0.431 |
| Number of reflections | 6140 | |
| <I/σ(I)> | 16.9 | 4.2 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 4.76 | 4.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M TRIS, 0.2M MgCl2, 30% PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
