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 |
