7FCQ
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 132.321, 68.443, 94.206 |
Unit cell angles | 90.00, 115.85, 90.00 |
Refinement procedure
Resolution | 45.070 - 1.890 |
R-factor | 0.1664 |
Rwork | 0.165 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jmw |
RMSD bond length | 0.018 |
RMSD bond angle | 1.907 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.780 | 1.930 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.078 | 0.778 |
Rmeas | 0.084 | 0.846 |
Number of reflections | 60097 | 2944 |
<I/σ(I)> | 23.9 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.4 |
CC(1/2) | 0.997 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.1 M Sodium citrate pH 5.6 20%(w/v) PEG4000 20%(V/V) Isopropanol |