4TSS
TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1994-01 |
Detector | RIGAKU |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 47.300, 47.300, 205.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 2.750 |
R-factor | 0.191 |
Rwork | 0.191 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TSS |
RMSD bond length | 0.015 |
RMSD bond angle | 24.800 * |
Data reduction software | MSC |
Data scaling software | MSC |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 3.000 |
High resolution limit [Å] | 2.180 | 2.750 |
Rmerge | 0.068 * | |
Number of reflections | 6274 | |
<I/σ(I)> | 6.45 | |
Completeness [%] | 50.0 | 50 |
Redundancy | 3.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6 | 14% PEG 8000, 0.2 M ZN ACETATE, 0.1 M NA CACODYLATE, PH 6, pH 6.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 14 (%) | |
2 | 1 | reservoir | zinc acetate | 0.2 (M) | |
3 | 1 | reservoir | Na-cacodylate | 0.1 (M) |