4YO9

HKU4 3CLpro unbound structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-12
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	80.321, 80.321, 179.538
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.300 - 2.300
R-factor	0.1951
Rwork	0.191
R-free	0.25330
RMSD bond length	0.009
RMSD bond angle	1.162
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	26.300
High resolution limit [Å]	2.300
Number of reflections	30634
<I/σ(I)>	43.8
Completeness [%]	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	10% PEG-3350, 2% tacsimate, 5% isopropanol, 0.1 M imidazole pH 6.5