8DTX
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
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 | 2022-03-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.086, 76.916, 154.379 |
Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
Resolution | 42.710 - 1.600 |
R-factor | 0.1863 |
Rwork | 0.185 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7sjs |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.084 | 0.060 | 0.938 |
Rmeas | 0.092 | 0.065 | 1.091 |
Rpim | 0.036 | 0.025 | 0.552 |
Total number of observations | 599784 | ||
Number of reflections | 99765 | 6511 | 1145 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 77.3 | 98.2 | 17.7 |
Redundancy | 6 | 6.7 | 3.7 |
CC(1/2) | 0.997 | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293.15 | 0.1 M sodium citrate, pH 5.6, 20% 2-propanol, and 20% PEG4000 |