1S4V

The 2.0 A crystal structure of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	36.448, 68.162, 163.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.300 * - 2.000
R-factor	0.181
Rwork	0.181
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cqd
RMSD bond length	0.008
RMSD bond angle	1.469 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.400 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066 *	0.137 *
Total number of observations	179209 *
Number of reflections	28159
Completeness [%]	98.5	89.3
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5 *	291	PEG 4000, Li2SO4, pH 5.04, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	drop	MES/NaOH	3 (mM)	pH5.5
3	1	drop	beta-mercaptoethanol	1 (mM)
4	1	reservoir	PEG4000	31 (%(w/v))
5	1	reservoir	sodium citrate	0.1 (M)	pH5.04
6	1	reservoir		0.2 (M)