3GJT

Caspase-3 Binds Diverse P4 Residues in Peptides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.186, 88.338, 96.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
Rwork	0.244
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	29053

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	100 mM sodium citrate, 5% glycerol, 10 mM dithiothreitol, 14-18% PEG6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K