8DV6

Zika virus envelope protein structure in complex with a potent Human mAb

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-03
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	95.041, 133.609, 105.109
Unit cell angles	90.00, 106.49, 90.00

Refinement procedure

Resolution	45.570 - 3.380
R-factor	0.2336
Rwork	0.232
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jhm
RMSD bond length	0.002
RMSD bond angle	0.619
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.460
High resolution limit [Å]	3.380	3.380
Rmerge	0.177	1.434
Rpim	0.070	0.585
Number of reflections	35195	1718
<I/σ(I)>	12.9	1.4
Completeness [%]	99.4	100
Redundancy	7.5	7
CC(1/2)		0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG8000, HEPES