7S3M

MERS-CoV S stem helix peptide bound to Fab22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2021-06-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	123.158, 123.158, 97.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.330 - 2.400
R-factor	0.2113
Rwork	0.209
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7m55
RMSD bond length	0.008
RMSD bond angle	1.082
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.840	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	33665	3507
<I/σ(I)>	9.8	1.8
Completeness [%]	100.0
Redundancy	8.8
CC(1/2)	0.988	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG1000, 10% PEG8000