1JXQ

Structure of cleaved, CARD domain deleted Caspase-9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	111
Detector technology	IMAGE PLATE
Collection date	2000-06-26
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	C 1 2 1
Unit cell lengths	144.300, 81.800, 125.400
Unit cell angles	90.00, 111.70, 90.00

Refinement procedure

Resolution	20.000 * - 2.800
R-factor	0.233 *
Rwork	0.233
R-free	0.27600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Caspase-3 PDB entry 1CP3
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.103	0.283
Total number of observations	112744 *
Number of reflections	33394
<I/σ(I)>	14.8	3.9
Completeness [%]	99.4	93.4 *
Redundancy	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8 *	298	0.1M Mes pH 6.5, 12% PEG 20,000, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	8-10 (mg/ml)
2	1	1	Tris	10 (mM)
3	1	1		100 (mM)
4	1	1	dithiothreitol	1 (mM)	pH8.0
5	1	2	MES	0.1 (M)	pH6.5
6	1	2	PEG20000	12 (%)