7K8Q
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C121
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 | 2020-06-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 71.304, 71.304, 404.844 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.360 - 2.000 |
R-factor | 0.2072 |
Rwork | 0.205 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t3z |
RMSD bond length | 0.008 |
RMSD bond angle | 0.996 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.100 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.058 | 1.360 |
Rpim | 0.114 | 0.810 |
Number of reflections | 42233 | 2989 |
<I/σ(I)> | 8.4 | 0.6 |
Completeness [%] | 99.2 | |
Redundancy | 26.3 | |
CC(1/2) | 0.995 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 298 | 0.2 M ammonium citrate, 20% PEG3350 |