1XR9
Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-07-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.84140 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.359, 81.389, 109.969 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.083 - 1.788 |
R-factor | 0.17968 |
Rwork | 0.177 |
R-free | 0.23151 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | B*1501/LEKARGSTY Complex without Peptide |
RMSD bond length | 0.013 |
RMSD bond angle | 1.437 |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.654 | 1.870 |
High resolution limit [Å] | 1.776 | 1.780 |
Total number of observations | 19646 | |
Number of reflections | 43204 | |
<I/σ(I)> | 14.2 | 2.5 |
Completeness [%] | 97.4 | 83.32 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.2M NH4Ac, 0.1M tri-Sodium Citrate dihydrate, pH 5.6, 30% w/v PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |