6PLK

Crystal structure of ZIKV-116 Fab in complex with ZIKV envelope DIII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	72.809, 89.805, 92.487
Unit cell angles	90.00, 103.96, 90.00

Refinement procedure

Resolution	44.903 - 2.300
R-factor	0.1696
Rwork	0.167
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5KVG and 5GZO
RMSD bond length	0.004
RMSD bond angle	0.656
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.344
High resolution limit [Å]	2.300	2.300
Number of reflections	50016	2471
<I/σ(I)>	22.5
Completeness [%]	97.5
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% MPD, 0.1 M Imidazole and 10% PEG 4K