3BCK
Crystal Structure of Staphylococcus aureus DsbA T153V
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 | 2006-10-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 65 |
Unit cell lengths | 72.085, 72.085, 92.575 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.430 - 1.950 |
Rwork | 0.223 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bci |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.430 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.066 | 0.523 |
Number of reflections | 19271 | |
<I/σ(I)> | 9.3 | 2.1 |
Completeness [%] | 96.8 | 92 |
Redundancy | 5.06 | 4.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 28-30% PEG 3350, VAPOR DIFFUSION, temperature 293K |