8DGW
Crystal structure of HCoV-HKU1 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC95.108 isolated from a vaccinated COVID-19 convalescent
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97946 |
Spacegroup name | H 3 |
Unit cell lengths | 157.422, 157.422, 205.095 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.360 - 2.810 |
R-factor | 0.2183 |
Rwork | 0.217 |
R-free | 0.24810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7JMW; 7KN4 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.143 | 0.042 | 1.131 |
Rmeas | 0.164 | 0.049 | 1.327 |
Rpim | 0.080 | 0.023 | 0.678 |
Total number of observations | 184320 | ||
Number of reflections | 45677 | 2230 | 2231 |
<I/σ(I)> | 7.1 | ||
Completeness [%] | 99.1 | 96.7 | 97.9 |
Redundancy | 4 | 3.9 | 3.5 |
CC(1/2) | 0.994 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M Ammonium formate, 20% (w/v) PEG 3350 |