8D6Z
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
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) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 196.173, 60.314, 186.509 |
Unit cell angles | 90.00, 109.52, 90.00 |
Refinement procedure
Resolution | 46.220 - 2.300 |
R-factor | 0.2376 |
Rwork | 0.235 |
R-free | 0.27930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
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 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.128 | 0.051 | 1.435 |
Rmeas | 0.146 | 0.059 | 1.606 |
Rpim | 0.067 | 0.030 | 0.700 |
Total number of observations | 424101 | ||
Number of reflections | 88859 | 4594 | 4413 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 97.2 | 95.7 | 98.5 |
Redundancy | 4.8 | 4.2 | 5.1 |
CC(1/2) | 0.997 | 0.482 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 70% 2-methyl-2,4-pentanediol and 0.1M HEPES, pH 7.5 |