7K8M
Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102
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 | 2020-05-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.599, 89.250, 175.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.120 - 3.200 |
R-factor | 0.1811 |
Rwork | 0.175 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bz5 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.693 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.120 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.160 | 0.492 |
Rpim | 0.068 | 0.232 |
Number of reflections | 14722 | 1413 |
<I/σ(I)> | 6 | |
Completeness [%] | 99.7 | |
Redundancy | 6.5 | |
CC(1/2) | 0.987 | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M sodium citrate tribasic, 20% w/v PEG3350 |