7WYO

Structure of the EV71 3Cpro with 338 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	300
Detector technology	PIXEL
Collection date	2019-12-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	59.721, 70.697, 85.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.124 - 1.402
R-factor	0.1845
Rwork	0.184
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r0f
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.570	1.490
High resolution limit [Å]	1.400	1.400
Number of reflections	71310	11351
<I/σ(I)>	0.093
Completeness [%]	99.7
Redundancy	13.72
CC(1/2)	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	4% Tacsimate PH 7.0, 12% 3350