3W01
Crystal structure of PcrB complexed with PEG 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 | 2012-02-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.337, 80.793, 85.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.900 - 1.540 |
| Rwork | 0.184 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vzx |
| 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 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.053 | 0.449 |
| Number of reflections | 66696 | |
| <I/σ(I)> | 44.8 | 3.7 |
| Completeness [%] | 98.1 | 84.5 |
| Redundancy | 7.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.1M Tris, 21% PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
