7IB1

Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS102869 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, 214.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.210 - 1.650
R-factor	0.1879
Rwork	0.187
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
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]	40.210	4.930	1.750
High resolution limit [Å]	1.650	3.490	1.650
Rmerge	0.101	0.046	1.077
Rmeas	0.106	0.048	1.127
Total number of observations	549640
Number of reflections	49433	3504	7832
<I/σ(I)>	15.09	47.43	1.86
Completeness [%]	100.0
CC(1/2)	0.999	0.999	0.698

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