8DAO
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 100.368, 100.368, 229.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.880 - 2.800 |
R-factor | 0.2332 |
Rwork | 0.231 |
R-free | 0.28370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d6z |
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 | 0.179 | 0.064 | 1.410 |
Rmeas | 0.188 | 0.067 | 1.482 |
Rpim | 0.056 | 0.019 | 0.439 |
Total number of observations | 309440 | ||
Number of reflections | 29592 | 1701 | 1384 |
<I/σ(I)> | 2.9 | ||
Completeness [%] | 98.9 | 100 | 95.9 |
Redundancy | 10.5 | 12.1 | 9.9 |
CC(1/2) | 0.999 | 0.406 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.1 M Tris, pH 8.5, 0.01 M nickel (II) chloride, and 20% PEG monomethyl ether 2000 |