5GMQ

Structure of MERS-CoV RBD in complex with a fully human antibody MCA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	153.460, 153.460, 97.494
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.330 - 2.703
R-factor	0.2414
Rwork	0.239
R-free	0.28460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5do2
RMSD bond length	0.011
RMSD bond angle	1.161
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.330	3.170
High resolution limit [Å]	2.703	2.703
Number of reflections	36296
<I/σ(I)>	9.9
Completeness [%]	99.3
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.06 M Citric acid, 0.04 M Bis-tris propane, 16% (w/v) PEG 3350