9W3B

Crystal Structure of Enterovirus A71 3C Protease in Complex with a Broad-spectrum Inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2005-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 43 3 2
Unit cell lengths	110.793, 110.793, 110.793
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.550 - 1.590
R-factor	0.2181
Rwork	0.217
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.272
Data reduction software	autoPX (beta4)
Data scaling software	pointless (9.0.005)
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.550	1.690
High resolution limit [Å]	1.590	1.590
Number of reflections	4970367	494602
<I/σ(I)>	17.65	1.32
Completeness [%]	100.0
Redundancy	3.989
CC(1/2)	0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	5% (w/v) PEG 1000, 100 mM Sodium phosphate dibasic/Citric acid pH 4.240% (v/v) Reagent alcohol