7M8S
Crystal Structure of HLA-A*02:01 in complex with KLNDLCFTNV, an 10-mer epitope from SARS-CoV-2 Spike (S386-395)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-07 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.601, 86.686, 163.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.080 - 2.350 |
R-factor | 0.1995 |
Rwork | 0.197 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gso |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.080 | 46.080 | 2.430 |
High resolution limit [Å] | 2.350 | 9.100 | 2.350 |
Rmerge | 0.124 | 0.056 | 0.980 |
Rmeas | 0.135 | 0.063 | 1.063 |
Rpim | 0.052 | 0.028 | 0.409 |
Total number of observations | 266968 | 4553 | 25197 |
Number of reflections | 39044 | 770 | 3769 |
<I/σ(I)> | 10 | 24.4 | 2 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 6.8 | 5.9 | 6.7 |
CC(1/2) | 0.982 | 0.934 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.2 Ammonium tantrate, 0.001 Cadmium chloride, 14% PEG 3350 |