9YJJ

Crystal structure of MERS-CoV spike stem helix peptide in complex with monoclonal antibody CC65.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	I 1 2 1
Unit cell lengths	95.393, 58.594, 96.743
Unit cell angles	90.00, 93.54, 90.00

Refinement procedure

Resolution	49.900 - 2.700
R-factor	0.2555
Rwork	0.253
R-free	0.31030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.693
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	14853	1482
<I/σ(I)>	5
Completeness [%]	100.0	100
Redundancy	6.5
CC(1/2)	0.975	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2% (v/v) PEG400, 2 M ammonium sulfate, and 0.1 M HEPES pH 7.5