7K8N
Crystal structure of an anti-SARS-CoV-2 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 65 2 2 |
Unit cell lengths | 88.813, 88.813, 218.858 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.040 - 1.650 |
R-factor | 0.1968 |
Rwork | 0.197 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bz5 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.443 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.040 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.096 | 1.480 |
Rpim | 0.023 | 0.334 |
Number of reflections | 116041 | 6095 |
<I/σ(I)> | 15.3 | |
Completeness [%] | 99.9 | |
Redundancy | 19.2 | |
CC(1/2) | 0.998 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M ammonium sulfate, 20% w/v PEG3350 |