3DTX
Crystal structure of HLA-B*2705 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 | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.905 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.842, 81.931, 65.771 |
| Unit cell angles | 90.00, 108.88, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.21164 |
| Rwork | 0.209 |
| R-free | 0.26183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ogt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 28855 | |
| <I/σ(I)> | 8.56 | 1.955 |
| Completeness [%] | 96.4 | 85.14 |
| Redundancy | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1M TRIS HCL, 25% PEG 8000,, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
