3HCV
Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.982 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.176, 82.428, 67.017 |
Unit cell angles | 90.00, 110.15, 90.00 |
Refinement procedure
Resolution | 48.040 - 1.950 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ogt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.130 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.432 |
Number of reflections | 39804 | |
<I/σ(I)> | 2.49 | |
Completeness [%] | 82.8 | 91.9 |
Redundancy | 3.75 | 3.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M TRIS HCL,25% PEG 8000, , pH 8.000000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |