1TY2
Crystal structure of the streptococcal pyrogenic exotoxin J (SPE-J)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-09-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418, |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.330, 46.330, 72.220 |
| Unit cell angles | 90.00, 90.54, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.231 |
| Rwork | 0.218 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SPE-J |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.400 |
| Number of reflections | 44041 | |
| <I/σ(I)> | 8.45 | 1.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.4 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | lithium acetate, PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
