1D6E
CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 294 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.827, 102.335, 102.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.450 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d5m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.900 * |
| 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 | |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.055 | |
| Number of reflections | 31200 | |
| Completeness [%] | 97.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 | 20 * | drop consists of 1:1 mixture of well and protein solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 5 (%) | |
| 3 | 1 | reservoir | sodium acetate | 10 (mM) | |
| 4 | 1 | reservoir | ethylene glycol | 2.4 (%) |
