1JWU
Crystal Structure of the Complex of the MHC Class II Molecule HLA-DR1 (HA peptide 306-318) with the superantigen SEC3 Variant 3B2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-08 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | H 3 |
| Unit cell lengths | 171.753, 171.753, 120.489 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.990 - 2.300 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.23700 |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.326 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 * | 0.421 * |
| Total number of observations | 172353 * | |
| Number of reflections | 58678 | |
| <I/σ(I)> | 14.8 | 2.8 |
| Completeness [%] | 99.6 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | PEG 4000, Sodium Acetate, Ethylene Glycol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
| 3 | 1 | reservoir | ethylene glycol | 10 (%) | |
| 4 | 1 | reservoir | PEG4000 | 2-4 (%) |
