5C2Z
Molecular insights into the specificity of exfoliative toxins from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.458 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.412, 93.141, 50.478 |
Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
Resolution | 35.687 - 1.955 |
R-factor | 0.1809 |
Rwork | 0.177 |
R-free | 0.25250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.071 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.700 |
High resolution limit [Å] | 1.950 |
Number of reflections | 31792 |
<I/σ(I)> | 6.85 |
Completeness [%] | 96.0 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 100 mM HEPES pH 7.5 30% 2-Propanol |