1TPE

COMPARISON OF THE STRUCTURES AND THE CRYSTAL CONTACTS OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE IN FOUR DIFFERENT CRYSTAL FORMS

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	95.400, 48.200, 67.500
Unit cell angles	90.00, 120.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.155
Rwork	0.155
RMSD bond length	0.016
RMSD bond angle	2.550
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.100 *	2.130 *
Rmerge	0.063 *
Number of reflections	18131 *
Completeness [%]	78.1 *	57.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		1 (mM)
2	1	drop	EDTA	1 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	Tris/HCl
5	1	reservoir	PEG6000	22 (%)