3KPP
Crystal Structure of HLA B*4405 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 |
Collection date | 2009-01-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.640, 81.620, 109.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.510 - 1.900 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1syv |
RMSD bond length | 0.010 |
RMSD bond angle | 1.251 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.510 | 2.000 | |
High resolution limit [Å] | 1.900 | 10.000 | 1.900 |
Rmerge | 0.097 | 0.043 | 0.415 |
Number of reflections | 36594 | 296 | 5149 |
<I/σ(I)> | 19.47 | 45.5 | 6 |
Completeness [%] | 100.0 | 97.7 | 100 |
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 |