1HXY
CRYSTAL STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN H IN COMPLEX WITH HUMAN MHC CLASS II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0232 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.624, 122.843, 48.513 |
| Unit cell angles | 90.00, 100.13, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.202 * |
| Rwork | 0.202 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1ENF and 1DLH |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | TRUNCATE |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.071 * | 0.314 * |
| Number of reflections | 21105 | 2185 * |
| <I/σ(I)> | 14.4 | 3.15 |
| Completeness [%] | 96.0 | 91.8 |
| Redundancy | 3.54 | 3.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.1 | 18 * | 0.05 mM mono-potassium dihydrogen phosphate, 20 % (w/v) polyethylene glycol 8000, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HLA-DR1-peptide trimer | 4.3 (mg/ml) | |
| 2 | 1 | drop | protein | 5 (mg/ml) | |
| 3 | 1 | drop | 1 (mM) | ||
| 4 | 1 | reservoir | mono-potassium dihydrogen phosphate | 0.05 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 20 (%(w/v)) |
