1TS4
Q139K MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-03 |
| Detector | SIEMENS |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 152.350, 152.350, 142.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.400 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1TSS |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.370 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.600 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.149 * | 0.360 * |
| Total number of observations | 64169 * | |
| Number of reflections | 8172 * | |
| <I/σ(I)> | 6.1 | 1 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 7.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4 | 18 * | pH 4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | acetate | 50 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 4-16 (%) | |
| 4 | 1 | reservoir | 1 (M) | ||
| 5 | 1 | reservoir | 100-200 (mM) |
