7IAX

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS103099 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	60.590, 60.590, 215.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.290 - 1.600
R-factor	0.1831
Rwork	0.182
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.077
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		1.700
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.097	0.028	1.685
Rmeas	0.102	0.030	1.761
Total number of observations	612487
Number of reflections	54198	2286	8575
<I/σ(I)>	16.36	65.53	1.44
Completeness [%]	100.0
CC(1/2)	0.999	1.000	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