7IAZ

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103092 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	60.620, 60.620, 215.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.310 - 1.630
R-factor	0.2187
Rwork	0.217
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.143
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]	46.310		1.730
High resolution limit [Å]	1.630	4.870	1.630
Rmerge	0.111	0.054	1.018
Rmeas	0.117	0.057	1.070
Total number of observations	567615
Number of reflections	51249	2173	8093
<I/σ(I)>	14.21	36.91	1.95
Completeness [%]	99.9
CC(1/2)	0.999	0.998	0.606

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