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