4MO7
Crystal structure of superantigen PfiT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.04023 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 37.226, 93.661, 53.557 |
| Unit cell angles | 90.00, 109.82, 90.00 |
Refinement procedure
| Resolution | 25.192 - 1.701 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.23410 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.572 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.7.3_928) |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.049 | 0.556 |
| Number of reflections | 18843 | |
| <I/σ(I)> | 30.3 | 2.7 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 4-8% PEG 3350, 0.1 M Tris, 0.2 M ammonium acetate, 5 mM MgCl2, 5 mM DTT, 5% isopropanol, and 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
