5IB4
Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Nickel
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 | 2012-03-10 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.1270 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.130, 81.740, 65.120 |
| Unit cell angles | 90.00, 107.83, 90.00 |
Refinement procedure
| Resolution | 34.122 - 1.950 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1of2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.298 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 69349 | |
| <I/σ(I)> | 14.76 | 6.43 |
| Completeness [%] | 94.6 | 65.6 |
| Redundancy | 3.6 | 1.4 |
| CC(1/2) | 0.995 |
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 |
