4IZL
Structure Of The N248A Mutant of the PANTON-VALENTINE LEUCOCIDIN S 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) | 0.8726 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 93.970, 93.970, 309.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.990 - 2.800 |
R-factor | 0.2238 |
Rwork | 0.223 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t5r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.090 |
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] | 46.990 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.122 | 0.649 |
Number of reflections | 34936 | |
<I/σ(I)> | 16 | 1.9 |
Completeness [%] | 99.1 | 94.6 |
Redundancy | 8.3 | 2.6 |
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 |