9CPR

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-90 and CC12.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	55.366, 102.309, 136.478
Unit cell angles	90.00, 100.41, 90.00

Refinement procedure

Resolution	48.070 - 3.100
R-factor	0.1991
Rwork	0.194
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5127: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.316	0.087	1.350
Rmeas	0.350	0.094	1.533
Rpim	0.147	0.036	0.703
Total number of observations	130159
Number of reflections	25404	1432	1022
<I/σ(I)>	4.4
Completeness [%]	91.6	98.9	73.3
Redundancy	5.1	6.6	3.3
CC(1/2)	0.932	0.987	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate citric acid buffer (pH 4.33), 25% (v/v) polyethylene glycol 200, and 7% (w/v) polyethylene glycol 6000