1S9V
Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2002-11-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.110, 93.750, 102.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.200* |
| Rwork | 0.221 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 26.200 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | |
| High resolution limit [Å] | 2.200 | |
| Rmerge | 0.092 * | 0.351 * |
| Total number of observations | 288797 * | |
| Number of reflections | 44458 | 1677 * |
| Completeness [%] | 93.9 * | 76.5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 300 | sodium acetate, ammonium acetate, ammonium sulfate, ethylene glycol, PEG 3350, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2-4 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 25 (mM) | pH8.0 |
| 3 | 1 | reservoir | sodium acetate | 50 (mM) | pH3.5 |
| 4 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 40 (mM) | |
| 6 | 1 | reservoir | ethylene gylcol | 4 (%) | |
| 7 | 1 | reservoir | PEG3350 | 26 (%) |
