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 |