3BCI
Crystal Structure of Staphylococcus aureus DsbA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-16 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 65 |
Unit cell lengths | 72.099, 72.099, 92.098 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.570 - 1.810 |
Rwork | 0.198 |
R-free | 0.21900 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.1SSI) |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.060 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.050 | 0.387 |
Number of reflections | 24921 | |
<I/σ(I)> | 21.9 | 3.3 |
Completeness [%] | 99.1 | 91.6 |
Redundancy | 9.5 | 3.59 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28-30% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K | |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28-30% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |