1SUX

CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI AND 3-(2-benzothiazolylthio)-1-propanesulfonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2002-05-21
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	42.870, 75.580, 146.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.030 - 2.000
R-factor	0.183
Rwork	0.183
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tcd
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	bioteX
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.000
Number of reflections	31622
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 400, HEPES, ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K