5HYO

X-Ray Structure of Unbound Porcine Epidemic Diarrhea Virus 3CLpro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9878
Spacegroup name	P 21 21 21
Unit cell lengths	58.586, 76.292, 119.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.466 - 2.104
R-factor	0.208
Rwork	0.204
R-free	0.26890
RMSD bond length	0.010
RMSD bond angle	1.411
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.466
High resolution limit [Å]	2.100
Number of reflections	31793
<I/σ(I)>	26.2
Completeness [%]	94.4
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		273	Isopropanol, PEG-3500