9PSO

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies BoWLB-622 and CC12.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	60.390, 105.256, 213.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.220 - 2.620
R-factor	0.2083
Rwork	0.206
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.496
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.670
High resolution limit [Å]	2.620	7.110	2.620
Rmerge	0.236	0.071	1.482
Rmeas	0.246	0.074	1.542
Rpim	0.068	0.022	0.424
Total number of observations	547540
Number of reflections	42288	2333	2051
<I/σ(I)>	4.1
Completeness [%]	100.0	100	100
Redundancy	12.9	10.8	13.1
CC(1/2)	0.989	0.998	0.481

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate citric acid buffer (pH 5.0), 1.6 M ammonium sulfate, and 20% (v/v) glycerol