4EHN

Allosteric Modulation of Caspase-3 through Mutagenesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	68.890, 85.522, 96.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.994 - 1.690
R-factor	0.1619
Rwork	0.160
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.124
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	2.290	1.750
High resolution limit [Å]	1.690	2.130	1.690
Number of reflections	31764
Completeness [%]	98.7	100	90.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1