3BD2
Crystal Structure of Staphylococcus aureus DsbA E96Q
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 | 2006-10-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 65 |
Unit cell lengths | 72.418, 72.418, 92.684 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.810 |
Rwork | 0.243 |
R-free | 0.25500 |
Starting model (for MR) | 3bci |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.210 | 1.870 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.039 | 0.264 |
Number of reflections | 24249 | |
<I/σ(I)> | 39.1 | 4.1 |
Completeness [%] | 96.0 | 84.8 |
Redundancy | 4.5 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28-30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |