7IB3

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103134 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 21 2
Unit cell lengths	60.450, 60.450, 214.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.710 - 1.610
R-factor	0.1819
Rwork	0.181
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.041
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]	39.710	4.810	1.710
High resolution limit [Å]	1.610	3.410	1.610
Rmerge	0.072	0.032	1.141
Rmeas	0.075	0.033	1.193
Total number of observations	602472
Number of reflections	52753	3734	8341
<I/σ(I)>	19.77	66.16	1.92
Completeness [%]	100.0
CC(1/2)	1.000	1.000	0.746

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