8DF5
SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 78.531, 126.773, 145.663 |
Unit cell angles | 91.78, 103.66, 96.02 |
Refinement procedure
Resolution | 46.270 - 2.700 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tn0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.887 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.270 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rpim | 0.057 | 0.487 |
Number of reflections | 180932 | 13019 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 90.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.995 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M Tris (base)/bicine pH 8.5, 3% w/v D- sorbitol |