3CUP
Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 96 |
Detector technology | CCD |
Collection date | 1999-06-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 55.832, 55.832, 338.834 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.450 - 3.090 |
R-factor | 0.235 |
Rwork | 0.232 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1es0 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.638 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.449 | 3.150 |
High resolution limit [Å] | 3.088 | 3.100 |
Number of reflections | 10586 | |
<I/σ(I)> | 10.6 | 1.8 |
Completeness [%] | 98.7 | 99.4 |
Redundancy | 4.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 295 | 0.1M Hepes pH 7.5, 28% PEG 8000, 2% Jeffamine 900, VAPOR DIFFUSION, SITTING DROP, temperature 295K, pH 7.50 |