9CPT

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-92 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	2023-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	291.994, 105.297, 55.499
Unit cell angles	90.00, 93.06, 90.00

Refinement procedure

Resolution	30.070 - 3.510
R-factor	0.2257
Rwork	0.221
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5127: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.070	3.610
High resolution limit [Å]	3.510	3.510
Rmerge	0.311	0.873
Number of reflections	20910	1423
<I/σ(I)>	6	2.1
Completeness [%]	99.1	92.4
Redundancy	6.9	7
CC(1/2)	0.967	0.752

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), 25% (v/v) polyethylene glycol 200, and 5% (w/v) polyethylene glycol 6000