1CI1

CRYSTAL STRUCTURE OF TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI IN HEXANE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1998-04-21
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	43.656, 77.650, 149.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.000
R-factor	0.181 *
Rwork	0.181
R-free	0.23900
Structure solution method	OTHER
Starting model (for MR)	1tcd
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851(ONLINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.110
High resolution limit [Å]	1.950	2.000
Rmerge	0.116	0.113
Total number of observations	172135 *
Number of reflections	31766
<I/σ(I)>	4.64	2.1
Completeness [%]	84.4	65.5
Redundancy	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		PROTEIN WAS CRYSTALLIZED AT ROOM TEMPERATUTE BY VAPER DIFFUSION FROM 0.1 M NA HEPES PH7.5, 2%(V/V) PEG400 AND 2.0 M AMMONIUM SULFATE, THEN SOAKED IN ANHYDROUS N-HEXANE. , VAPOR DIFFUSION

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)
2	1	reservoir	PEG400	2 (%(v/v))
3	1	reservoir	ammonium sulfate	2.0 (M)