1PYW
Human class II MHC protein HLA-DR1 bound to a designed peptide related to influenza virus hemagglutinin, FVKQNA(MAA)AL, in complex with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 172.507, 172.507, 121.652 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.23000 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1klu |
RMSD bond length | 0.006 |
RMSD bond angle | 25.300 * |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.075 * | 0.394 * |
Total number of observations | 366342 * | |
Number of reflections | 79802 | 7968 * |
<I/σ(I)> | 11.5 | 3.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4.5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 4 * | PEG 4000, Ethylene Glycol, Mangesium Acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 2-6 (%) | |
2 | 1 | reservoir | ethylene glycol | 10 (%) | |
3 | 1 | reservoir | sodium acetate | 100 (M) | pH5.2-5.6 |
4 | 1 | drop | protein | 8 (mg/ml) |