3W02
Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 141.574, 141.574, 107.871 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.830 - 2.980 |
Rwork | 0.194 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w01 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.090 |
High resolution limit [Å] | 2.980 | 2.980 |
Rmerge | 0.050 | 0.400 |
Number of reflections | 22795 | |
<I/σ(I)> | 23.4 | 2.1 |
Completeness [%] | 97.5 | 84.1 |
Redundancy | 3.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.1M Tris, 2.5M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |