6NB5

Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 1 21 1
Unit cell lengths	70.725, 69.575, 93.838
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	39.180 - 3.000
R-factor	0.2307
Rwork	0.228
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c5v
RMSD bond length	0.007
RMSD bond angle	1.346
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.180	39.150	3.180
High resolution limit [Å]	3.000	9.000	3.000
Rmerge	0.293	0.053	1.002
Rmeas	0.354	0.065	1.213
Rpim	0.197	0.037	0.675
Number of reflections	17505	674	2807
<I/σ(I)>	3.2
Completeness [%]	99.6	97.9	99.7
Redundancy	3.1	2.9	3.1
CC(1/2)	0.927	0.996	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	30 % (v/v) Jeffamine ED-2001 pH 7.0 and 0.1 M HEPES pH 7.0