6MTX

Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 isolated following ZPIV vaccination

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	2017-11-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	59.773, 66.806, 138.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.975 - 2.051
R-factor	0.1772
Rwork	0.175
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uta
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.200
Rmeas	0.220
Rpim	0.080	0.540
Number of reflections	35548	3263
<I/σ(I)>	9
Completeness [%]	94.8
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.2 M ammonium sulfate, 0.1 M sodium acetate trihydrate (pH 4.6) and 25% (w/v) polyethylene glycol 4000