7IAY

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103107 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	60.510, 60.510, 215.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.290 - 1.570
R-factor	0.2721
Rwork	0.271
R-free	0.29910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.605
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]	46.290		1.660
High resolution limit [Å]	1.570	4.690	1.570
Rmerge	0.169	0.093	1.245
Rmeas	0.178	0.098	1.306
Total number of observations	630865
Number of reflections	57290	2415	9076
<I/σ(I)>	9.12	23.66	1.37
Completeness [%]	100.0
CC(1/2)	0.996	0.994	0.361

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