1OF2
Crystal structure of HLA-B*2709 complexed with the vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.158, 81.635, 65.310 |
| Unit cell angles | 90.00, 107.47, 90.00 |
Refinement procedure
| Resolution | 29.100 * - 2.200 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k5n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.123 * | 0.346 * |
| Number of reflections | 25005 | 2495 * |
| <I/σ(I)> | 9.7 | 4.1 |
| Completeness [%] | 95.8 * | 96.8 * |
| Redundancy | 3.1 | 3.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 291 | TRIS PH 8.5, 19% PEG 8000 HANGING DROP, TEMPERATURE 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
| 2 | 1 | reservoir | PEG8000 | 19 (%) | |
| 3 | 1 | drop | protein | 16 (mg/ml) | |
| 4 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
| 5 | 1 | drop | 150 (mM) |
