1JWM
Crystal Structure of the Complex of the MHC Class II Molecule HLA-DR1(HA peptide 306-318) with the Superantigen SEC3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-18 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | H 3 |
Unit cell lengths | 171.695, 171.695, 120.796 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.980 - 2.700 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 * |
RMSD bond angle | 1.361 * |
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] | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.085 * | 0.316 * |
Total number of observations | 134545 * | |
Number of reflections | 34242 | |
<I/σ(I)> | 15.4 | |
Completeness [%] | 94.1 | 94.9 |
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 (%) |