7WYL

Structure of the EV71 3Cpro with 337 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.28284
Spacegroup name	P 21 21 21
Unit cell lengths	59.767, 70.497, 86.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.590 - 1.310
R-factor	0.2216
Rwork	0.221
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r0f
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.590	3.890
High resolution limit [Å]	1.300	1.300
Number of reflections	159196	23216
<I/σ(I)>	12.22
Completeness [%]	92.5
Redundancy	2.83
CC(1/2)	0.998	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	6%Tacsimate PH 7.0, 14% 3350