1T5X
HLA-DR1 in complex with a synthetic peptide (AAYSDQATPLLLSPR) and the superantigen SEC3-3B2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-07-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 173.208, 173.208, 121.543 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.800 - 2.500 |
R-factor | 0.2081 |
Rwork | 0.208 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PBB entrt 1PYW |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 2.590 |
High resolution limit [Å] | 2.390 | 2.500 |
Rmerge | 0.089 | 0.458 |
Number of reflections | 53191 | |
<I/σ(I)> | 9.7 | 2 |
Completeness [%] | 99.0 | 100 |
Redundancy | 7.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 277 | PEG 4000, Ethylene Glycol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |