4J0O
Structure of the Y246A Mutant of the PANTON-VALENTINE LEUCOCIDIN S Component from STAPHYLOCOCCUS AUREUS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.110, 94.110, 306.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.510 - 2.500 |
| R-factor | 0.1846 |
| Rwork | 0.182 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t5r |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.050 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.149 | 0.827 |
| Number of reflections | 46924 | |
| <I/σ(I)> | 10 | 1.9 |
| Completeness [%] | 96.9 | 95.7 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 40 % PEG 200, 0.1M NaMES, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
