4IYC
Structure of the T244A mutant of the PANTON-VALENTINE LEUCOCIDIN component from STAPHYLOCOCCUS AUREUS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.480, 94.480, 310.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.700 - 2.750 |
| R-factor | 0.1977 |
| Rwork | 0.195 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t5r |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| 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] | 46.700 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.110 | 0.834 |
| Number of reflections | 36657 | |
| <I/σ(I)> | 15.1 | 2 |
| Completeness [%] | 97.3 | 83.4 |
| Redundancy | 6.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 40% PEG200, 0.1M NaMES , pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
