9O5V

Crystal structure of chimeric BANAL-52 RBD complexed with chimeric Rhinolophus sinicus ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	78.897, 117.350, 108.452
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	34.390 - 3.350
R-factor	0.2286
Rwork	0.227
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	11.726
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.400	3.530
High resolution limit [Å]	3.350	3.350
Rmerge	0.206	0.839
Number of reflections	19525	184
<I/σ(I)>	5.6	1.6
Completeness [%]	89.8
Redundancy	4.4
CC(1/2)	0.985	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM Tris, pH 7.5-8.5, 16-24% PEG6000, 100 mM sodium chloride