4IYA
Structure of the Y250A mutant of the PANTON-VALENTINE LEUCOCIDIN S component from STAPHYLOCOCCUS AUREUS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.94800 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.340, 89.320, 38.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.690 - 1.550 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t5r |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.840 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.067 | 0.753 |
| Number of reflections | 43049 | |
| <I/σ(I)> | 18.8 | 3.2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6.9 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 285 | 5% PEG 6000, 0.1M NaCitrate , pH 4.00, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
