7IB4

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103292 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	60.340, 60.340, 215.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.670 - 1.620
R-factor	0.1793
Rwork	0.178
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.103
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]	42.670	4.840	1.720
High resolution limit [Å]	1.620	3.430	1.620
Rmerge	0.078	0.038	1.145
Rmeas	0.082	0.040	1.194
Total number of observations	582462
Number of reflections	50650	3617	7957
<I/σ(I)>	18.71	59.3	2
Completeness [%]	97.8
CC(1/2)	0.999	0.999	0.728

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