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 |