4OHJ
Crystal structure of toxic shock syndrome toxin-1 (TSST-1) 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 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.922, 40.316, 98.760 |
| Unit cell angles | 90.00, 117.30, 90.00 |
Refinement procedure
| Resolution | 29.270 - 1.280 |
| R-factor | 0.14307 |
| Rwork | 0.141 |
| R-free | 0.17697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tss |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.645 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.310 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.054 | 0.570 |
| Number of reflections | 97363 | |
| <I/σ(I)> | 21.7 | 2.4 |
| Completeness [%] | 98.8 | 97.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M Sodium Chloride, 0.1 M Bis-Tris, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
