9XYB

Crystal structure of a ZIKV E glycoprotein DI-DIII vaccine candidate in complex with human neutralizing antibody MZ4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	135.551, 57.257, 88.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.900 - 2.850
R-factor	0.2395
Rwork	0.235
R-free	0.31610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.390
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.816	2.902
High resolution limit [Å]	2.850	2.853
Number of reflections	16589	818
<I/σ(I)>	3.7
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.985	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	40% (v/v) pentaerythritol propoxylate (5/4 PO/OH), 15% (v/v) ethanol