8TMZ

Crystal structure of MERS-CoV spike stem helix peptide in complex with neutralizing antibody CHM-27

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	2023-05-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	43.057, 71.402, 74.571
Unit cell angles	90.00, 106.00, 90.00

Refinement procedure

Resolution	35.840 - 1.800
R-factor	0.2469
Rwork	0.244
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.322
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.587	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	39980	1803
<I/σ(I)>	7
Completeness [%]	99.1
Redundancy	3.3
CC(1/2)	0.995	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.17 M sodium acetate, 0.085 M Tris at pH 8.5, 15% (v/v) glycerol, and 25.5% (w/v) polyethylene glycol 4000