9ZBY

Crystal structure of SARS-CoV-2 Omicron BA.1 receptor binding domain in complex with antibodies HB148-M4 and LY-CoV1404

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	2024-04-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	196.861, 88.030, 100.807
Unit cell angles	90.00, 110.27, 90.00

Refinement procedure

Resolution	40.750 - 2.730
R-factor	0.2034
Rwork	0.200
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.516
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	2.780
High resolution limit [Å]	2.730	7.400	2.730
Rmerge	0.156	0.050	1.130
Rmeas	0.171	0.054	1.268
Rpim	0.068	0.022	0.559
Total number of observations	232525
Number of reflections	42283	2198	1794
<I/σ(I)>	9.5
Completeness [%]	96.5	96.5	82.7
Redundancy	5.5	5.7	3.3
CC(1/2)	0.983	0.996	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M di-ammonium hydrogen phosphate, 12%(w/v) polyethylene glycol 3350