3OXR
Crystal Structure of HLA A*02:06 Bound to HBV Core 18-27
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-06-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.072 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.400, 79.200, 60.200 |
| Unit cell angles | 90.00, 97.20, 90.00 |
Refinement procedure
| Resolution | 59.730 - 1.700 |
| R-factor | 0.17911 |
| Rwork | 0.177 |
| R-free | 0.21404 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hhh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.391 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.780 | 2.210 | 1.730 |
| High resolution limit [Å] | 1.670 | 2.080 | 1.670 |
| Rmerge | 0.042 | 0.074 | 0.470 |
| Number of reflections | 62992 | ||
| <I/σ(I)> | 13.92 | 15.8 | 2.8 |
| Completeness [%] | 96.0 | 96 | 91.7 |
| Redundancy | 3.5 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES pH 7.5, 10% w/v Polyethylene glycol 6,000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
