9PSP

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies BoWLB-1173 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 1
Unit cell lengths	55.195, 101.051, 127.826
Unit cell angles	92.25, 100.66, 90.09

Refinement procedure

Resolution	47.960 - 2.810
R-factor	0.1974
Rwork	0.195
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.509
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	2.860
High resolution limit [Å]	2.810	7.620	2.810
Rmerge	0.172	0.051	0.584
Rmeas	0.207	0.063	0.707
Rpim	0.113	0.036	0.394
Total number of observations	207911
Number of reflections	65320	3285	3219
<I/σ(I)>	5
Completeness [%]	98.7	99.5	97.9
Redundancy	3.2	2.8	3
CC(1/2)	0.944	0.985	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate citric acid buffer (pH 4.0), 25% (v/v) polyethylene glycol 200, and 5% (w/v) polyethylene glycol 6000