1ET6
CRYSTAL STRUCTURE OF THE SUPERANTIGEN SMEZ-2 FROM STREPTOCOCCUS PYOGENES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 1998-11-23 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.085, 39.935, 104.727 |
Unit cell angles | 90.00, 134.49, 90.00 |
Refinement procedure
Resolution | 18.150 - 1.900 |
R-factor | 0.221 |
Rwork | 0.219 |
R-free | 0.24600 |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.230 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.057 | 0.312 |
Total number of observations | 227174 * | |
Number of reflections | 34777 * | |
<I/σ(I)> | 21.5 | |
Completeness [%] | 97.0 * | 89.9 * |
Redundancy | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 18 * | PEG 5000 MME, cacodylate, sodium phosphate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | phosphate | 50 (mM) | |
3 | 1 | reservoir | cacodylate/KOH | 200 (mM) | |
4 | 1 | reservoir | PEG5000 MME | 16 (%) |