1JK8
Crystal structure of a human insulin peptide-HLA-DQ8 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.034, 42.862, 87.467 |
Unit cell angles | 90.00, 102.48, 90.00 |
Refinement procedure
Resolution | 29.160 - 2.400 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 * |
RMSD bond angle | 1.650 * |
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] | 30.000 | |
High resolution limit [Å] | 2.400 | 2.400 * |
Rmerge | 0.103 | 0.362 * |
Number of reflections | 18183 | |
Completeness [%] | 95.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 291 | PEG 8000, magnesium acetate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 18K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2-5 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 18-25 (%) | |
3 | 1 | reservoir | glycine | 100 (mM) | |
4 | 1 | reservoir | magnesium acetate | 100 (mM) |