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 |
