1DYQ
STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 1999-09-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.048, 78.652, 86.374 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.187 - 1.500 |
| R-factor | 0.191 * |
| Rwork | 0.191 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1esf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.069 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.190 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 * | 0.135 * |
| Total number of observations | 158285 * | |
| Number of reflections | 35972 | 1143 * |
| <I/σ(I)> | 7 | 4.4 |
| Completeness [%] | 82.8 | 37.2 * |
| Redundancy | 4.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 4 * | HANGING DROP OVER 1 ML WELL, 4 + 4 UL DROPS, WELL SOLUTION 10% PEG6K, 5% MPD IN 0.1 M HEPES PH 7.8, TEMPERATURE 4 DEG, 3-4 WEEKS. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 10 (%) | |
| 2 | 1 | reservoir | MPD | 5 (%) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.8 |
| 4 | 1 | drop | protein | 2 (mg/ml) |
