3V05
2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Detector technology | CCD |
| Collection date | 2011-11-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.640, 106.504, 162.085 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.670 - 2.400 |
| R-factor | 0.19809 |
| Rwork | 0.195 |
| R-free | 0.25967 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ury |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.219 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.078 | 0.523 |
| Number of reflections | 31397 | |
| <I/σ(I)> | 21.8 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 295 | Protein: 7.4mG/mL, 0.25M Sodium chloride, 0.01M Tris-HCl (pH 8.3); Screen: PACT (D6), 0.1M MMT buffer (pH 9.0), 25% (w/v) PEG 1500., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
