5IB3
Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Copper
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-10 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.295, 82.129, 65.362 |
Unit cell angles | 90.00, 107.56, 90.00 |
Refinement procedure
Resolution | 30.829 - 1.910 |
R-factor | 0.1712 |
Rwork | 0.170 |
R-free | 0.20380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1of2 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.313 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.020 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 71965 | |
<I/σ(I)> | 15.33 | 3.61 |
Completeness [%] | 90.9 | 77.6 |
Redundancy | 1.6 | 1.4 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M Tris HCl, 16% (w/v) PEG 8000 |