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 |
