3K55
Structure of beta hairpin deletion mutant of beta toxin from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90020 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 151.377, 134.473, 156.990 |
| Unit cell angles | 90.00, 116.89, 90.00 |
Refinement procedure
| Resolution | 31.313 - 3.350 |
| R-factor | 0.2429 |
| Rwork | 0.241 |
| R-free | 0.28130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Structure of wild-type beta toxin |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 3.430 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Number of reflections | 77169 | |
| <I/σ(I)> | 11.2 | 1.94 |
| Completeness [%] | 96.5 | 72.8 |
| Redundancy | 2.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 29% PEG 3350, 0.1 M tris, 0.2 M lithium sulfate, 10 mM betaine hydrochloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
