9CPY

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies C11-0860 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	2024-04-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	109.245, 109.245, 229.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.310 - 3.100
R-factor	0.1983
Rwork	0.194
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.447
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	0.103	0.040	1.204
Rmeas	0.107	0.041	1.247
Rpim	0.028	0.011	0.322
Total number of observations	372121
Number of reflections	26134	1462	1267
<I/σ(I)>	9.7
Completeness [%]	99.8	98.8	100
Redundancy	14.2	13.5	14.6
CC(1/2)	0.999	0.999	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate / citric acid, pH 3.66, 25% v/v PEG200, 8% w/v PEG6000