1NW9

STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-28
Detector	FUJI
Wavelength(s)	1.1
Spacegroup name	P 65 2 2
Unit cell lengths	104.400, 104.400, 170.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.23
Rwork	0.230
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.090
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.071 *	0.525 *
Total number of observations	415375 *
Number of reflections	23136
Completeness [%]	99.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris, potassium phosphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)	pH8.0
2	1	reservoir	potassium monohydrogen phosphate	1.0 (M)
3	1	reservoir		0.2 (M)