2X4U
Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-06 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.215, 82.774, 79.655 |
Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
Resolution | 19.950 - 2.100 |
R-factor | 0.1787 |
Rwork | 0.176 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eey |
RMSD bond length | 0.007 |
RMSD bond angle | 1.474 |
Data reduction software | MOSFLM |
Data scaling software | TRUNCATE |
Phasing software | AMoRE |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.050 | 0.200 |
Number of reflections | 46009 | |
<I/σ(I)> | 8.4 | 3.9 |
Completeness [%] | 97.6 | 97.6 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 100 MM MES PH 5.5, 20% PEG 1500. CRYSTALS WERE FROZEN IN 100 MM MES, 30% PEG 1500, 10% GLYCEROL |