2H6P
Crystal structure of HLA-B*3501 presenting the human cytochrome P450 derived peptide, KPIVVLHGY
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2005-06-17 |
Detector | RIGAKU RAXIS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.279, 82.070, 109.881 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.800 - 1.900 |
R-factor | 0.21133 |
Rwork | 0.210 |
R-free | 0.23914 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.875 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.800 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 36699 | |
Completeness [%] | 83.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277 | 18% PEG 3350, 0.1M ammonium acetate, 0.1M cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |