7IB5

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103238 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	60.440, 60.440, 215.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.220 - 1.520
R-factor	0.1946
Rwork	0.194
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.079
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]	46.220	4.540	1.610
High resolution limit [Å]	1.520	3.220	1.520
Rmerge	0.125	0.048	1.434
Rmeas	0.132	0.050	1.522
Total number of observations	620845
Number of reflections	62624	4427	9900
<I/σ(I)>	13.01	47.31	1.29
Completeness [%]	99.9
CC(1/2)	0.999	0.999	0.470

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