7KGP
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N316-324
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 | 2020-05-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.192, 79.546, 111.578 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 1.396 |
R-factor | 0.1948 |
Rwork | 0.194 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gso |
RMSD bond length | 0.008 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.000 | 48.000 | 1.420 |
High resolution limit [Å] | 1.396 | 7.650 | 1.400 |
Rmerge | 0.064 | 0.043 | 1.349 |
Rmeas | 0.066 | 0.045 | 1.405 |
Rpim | 0.018 | 0.013 | 0.385 |
Total number of observations | 8656 | 58020 | |
Number of reflections | 106332 | 759 | 4607 |
<I/σ(I)> | 19.3 | 52.4 | 2.1 |
Completeness [%] | 99.4 | 99.3 | 88.4 |
Redundancy | 13.4 | 11.4 | 12.6 |
CC(1/2) | 0.999 | 0.999 | 0.697 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20% 3350, 0.2M NaFluoride, 1 mM CdCl2 |