5VZR

Crystal Structure of MERS-CoV neutralizing antibody G4 Fab

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	PIXEL
Collection date	2016-02-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	80.678, 88.759, 128.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.025 - 1.570
R-factor	0.1839
Rwork	0.182
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBIDs 2JEL and 3QQ9
RMSD bond length	0.006
RMSD bond angle	0.849
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.760	88.760	1.600
High resolution limit [Å]	1.570	8.600	1.570
Rmerge	0.128	0.064	1.641
Total number of observations	786682	5660	40011
Number of reflections	128851
<I/σ(I)>	7.8	19.3	1.7
Completeness [%]	99.8	100	99.8
Redundancy	6.1	6.2	6.3
CC(1/2)	0.994	0.951	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES pH 6.5, 0.2 M magnesium chloride and 10% (w/w) PEG4000