9YJK

Crystal structure of MERS-CoV spike stem helix peptide in complex with monoclonal antibody eCC65.1-12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	91.002, 60.013, 81.793
Unit cell angles	90.00, 97.96, 90.00

Refinement procedure

Resolution	45.060 - 2.510
R-factor	0.2202
Rwork	0.218
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.583
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.550
High resolution limit [Å]	2.510	6.810	2.510
Rmerge	0.142	0.037	1.015
Rmeas	0.164	0.043	1.183
Rpim	0.080	0.021	0.593
Total number of observations	59004
Number of reflections	15018	780	712
<I/σ(I)>	4.8
Completeness [%]	99.5	99	96.3
Redundancy	3.9	3.7	3.4
CC(1/2)	0.975	0.996	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammonium sulfate, 25% (w/v) PEG 4000, 0.1 M sodium acetate pH 4.6