3KPL
Crystal Structure of HLA B*4402 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.790, 81.700, 109.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.960 |
R-factor | 0.205 |
Rwork | 0.200 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1syv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.175 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.109 | 2.000 | |
High resolution limit [Å] | 1.950 | 10.000 | 1.950 |
Rmerge | 0.051 | 0.019 | 0.114 |
Number of reflections | 29968 | 187 | 1656 |
<I/σ(I)> | 11.13 | 22.6 | 6 |
Completeness [%] | 87.8 | 59.2 | 68.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K |