6C6Z

Crystal structure of potent neutralizing antibody CDC2-C2 in complex with MERS-CoV S1 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	60.819, 166.850, 184.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.652 - 2.100
R-factor	0.1925
Rwork	0.191
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xak
RMSD bond length	0.005
RMSD bond angle	0.728
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.652	47.650	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.128	0.067	1.223
Rmeas	0.140	0.073	1.331
Rpim	0.054	0.030	0.510
Number of reflections	107760	786	5202
<I/σ(I)>	8.3
Completeness [%]	97.7	98.1	97.3
Redundancy	6.3	6.4	6.4
CC(1/2)	0.995	0.995	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	293	0.1 M Tris, pH 6.5, 10% (vol/vol) 2-propanol, and 10% (wt/wt) PEG 3350