7IAV

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS102592 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	60.490, 60.490, 214.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.740 - 1.530
R-factor	0.186
Rwork	0.185
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
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]	39.740		1.620
High resolution limit [Å]	1.530	4.570	1.530
Rmerge	0.081	0.034	1.441
Rmeas	0.085	0.036	1.520
Total number of observations	613121
Number of reflections	61384	2581	9702
<I/σ(I)>	14.84	54.1	1.27
Completeness [%]	100.0
CC(1/2)	0.999	0.999	0.636

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