2O7K
S. aureus thioredoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8123 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.032, 49.695, 54.473 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.200 |
Rwork | 0.203 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.305 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
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 | 0.093 | 0.449 |
Number of reflections | 6123 | |
<I/σ(I)> | 14.8 | 4.3 |
Completeness [%] | 97.7 | 98.5 |
Redundancy | 7.06 | 5.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M TRIS, 30% PEG4000, 0.2M MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |