1J4G

crystal structure analysis of the trichosanthin delta C7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-07-28
Detector	MAR scanner 345 mm plate
Spacegroup name	P 1 21 1
Unit cell lengths	71.560, 74.400, 87.560
Unit cell angles	90.00, 96.96, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.174 *
Rwork	0.174
R-free	0.23500
RMSD bond length	0.014
RMSD bond angle	1.620
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.130
High resolution limit [Å]	1.800 *	1.800 *
Rmerge	0.071 *	0.248 *
Total number of observations	61794 *
Number of reflections	19310 *	1950 *
<I/σ(I)>	10.4
Completeness [%]	98.2 *	95.8 *
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	291	PEG8000, calcium acetate, sodium cacodylate, pH 6.5, EVAPORATION, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	15 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	sodium cacodylate	0.1 (M)