3OXS
Crystal Structure of HLA A*02:07 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 | P 21 21 21 |
Unit cell lengths | 60.210, 79.060, 110.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.820 - 1.750 |
R-factor | 0.17874 |
Rwork | 0.177 |
R-free | 0.20699 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hhh |
RMSD bond length | 0.014 |
RMSD bond angle | 1.404 |
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] | 52.830 | 3.290 | 1.760 |
High resolution limit [Å] | 1.700 | 2.940 | 1.700 |
Rmerge | 0.061 | 0.041 | 0.708 |
Number of reflections | 57808 | ||
<I/σ(I)> | 19.7 | 38.9 | 1.9 |
Completeness [%] | 98.7 | 99.9 | 87.9 |
Redundancy | 6.3 | 6.5 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1M sodium acetate tridydrate pH 4.6, 8% w/v polyethylene 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |