1K88

Crystal structure of procaspase-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-26
Detector	FUJI
Wavelength(s)	1.1
Spacegroup name	P 32 2 1
Unit cell lengths	91.200, 91.200, 185.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.227 *
Rwork	0.227
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.620
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.048 *	0.270 *
Total number of observations	97318 *
Number of reflections	21329
Completeness [%]	90.9	47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	296	lithium sulfate, sodium chloride, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	citrate	100 (mM)
2	1	reservoir	lithium sulfate	1.0 (M)
3	1	reservoir		1.0 (M)