3URY
Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97903 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.734, 79.555, 55.354 |
| Unit cell angles | 90.00, 103.16, 90.00 |
Refinement procedure
| Resolution | 28.680 - 1.900 |
| R-factor | 0.19094 |
| Rwork | 0.188 |
| R-free | 0.24665 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rdg |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.061 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.110 |
| Number of reflections | 30774 | |
| <I/σ(I)> | 18.1 | 3.2 |
| Completeness [%] | 98.0 | 83.6 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Bis-Tris, 20% PEG5000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
