4RCO
1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.983, 88.904, 153.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.100 - 1.900 |
| R-factor | 0.17389 |
| Rwork | 0.172 |
| R-free | 0.21447 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ury |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.529 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.065 | 0.459 |
| Number of reflections | 37801 | |
| <I/σ(I)> | 26.1 | 3.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | Protein: 6.6 mg/ml, 0.25 M Sodium chloride, 0.01 M Tris-HCL buffer pH(8.3), 2.4mM LewisX, 5mM BME; Screen: JCSG+ (G6), 0.24M Sodium malonate (pH 7.0), 20%(w/v) PEG 3350., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
