7BPK

Zika virus envelope protein mutant bound to mAb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	78.462, 103.790, 205.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.450 - 3.100
R-factor	0.2339
Rwork	0.232
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jhm
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Rpim	0.056
Number of reflections	30934	3041
<I/σ(I)>	12.4
Completeness [%]	99.2
Redundancy	9.3
CC(1/2)		0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.12 M Ethylene Glycols, 0.1 M buffer system 3 at pH 8.5 and 30% V/V Precipitant Mix 2