7IB7

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103119 from ECBL-96

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 2 2
Unit cell lengths	42.930, 42.930, 216.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.110 - 1.550
R-factor	0.1907
Rwork	0.190
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.110	4.630	1.640
High resolution limit [Å]	1.550	3.280	1.550
Rmerge	0.067	0.030	1.503
Rmeas	0.071	0.032	1.573
Total number of observations	338707
Number of reflections	30662	2191	4821
<I/σ(I)>	18.66	62.55	1.77
Completeness [%]	99.9
CC(1/2)	1.000	1.000	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000