1I4O

CRYSTAL STRUCTURE OF THE XIAP/CASPASE-7 COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC
Spacegroup name	P 32 2 1
Unit cell lengths	88.500, 88.500, 185.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.224 *
Rwork	0.224
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cp3
RMSD bond length	0.009
RMSD bond angle	1.571
Data reduction software	DENZO
Data scaling software	SCALEPACK

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.052	0.339
Completeness [%]	99.3	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	Tris-HCl	20 (mg/ml)
3	1	drop		300 (mM)
4	1	drop	dithiothreitol	5 (mM)
5	1	reservoir	butanol	20-30 (%)