4QRQ
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
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 |
Collection date | 2010-10-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.836, 81.511, 110.789 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.394 - 1.700 |
R-factor | 0.1829 |
Rwork | 0.181 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m05 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.098 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.900 | |
High resolution limit [Å] | 1.700 | 10.000 | 1.800 |
Rmerge | 0.093 | 0.030 | 0.551 |
Number of reflections | 51051 | ||
<I/σ(I)> | 17.45 | 48.02 | 3.92 |
Completeness [%] | 99.6 | 84.5 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K |