7CJF

Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	C 2 2 21
Unit cell lengths	85.958, 148.575, 144.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.164 - 2.108
R-factor	0.1864
Rwork	0.185
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bwj
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.091	0.033	0.800
Rmeas	0.097	0.035	0.844
Rpim	0.031	0.011	0.264
Total number of observations	475973
Number of reflections	49623	2844	2639
<I/σ(I)>	7.9
Completeness [%]	92.7	99.8	99.8
Redundancy	9.6	9.2	9.7
CC(1/2)		0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	20%(w/v)PEG 3350 0.2M potassium citrate tribasic