6PXG

Crystal Structure of MERS-CoV neutralizing antibody G2 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	CCD
Collection date	2015-11-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	40.640, 207.140, 103.360
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	38.406 - 2.100
R-factor	0.1834
Rwork	0.181
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.530	39.530	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.096	0.062	0.816
Rmeas	0.113	0.073	0.959
Rpim	0.059	0.039	0.500
Total number of observations	336364	1841	15243
Number of reflections	95880	544	4608
<I/σ(I)>	6.2	11.1	1.6
Completeness [%]	97.6	87.6	93.9
Redundancy	3.5	3.4	3.3
CC(1/2)	0.995	0.992	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	15% EtOH, 40% Pentaerythritol propoxylate (5/4 PO/OH)