1TPD

STRUCTURES OF THE "OPEN" AND "CLOSED" STATE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE, AS OBSERVED IN A NEW CRYSTAL FORM: IMPLICATIONS FOR THE REACTION MECHANISM

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	94.800, 48.300, 131.000
Unit cell angles	90.00, 100.30, 90.00

Refinement procedure

Resolution	? - 2.100
R-factor	0.176
Rwork	0.176
RMSD bond length	0.016
RMSD bond angle	2.460
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.100 *	2.100 *
Rmerge	0.063 *
Total number of observations	59116 *
Number of reflections	26860 *
Completeness [%]	78.0 *	57.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris/HCl	25 (mM)
2	1	drop		20 (mM)
3	1	drop	ammonium sulfate	50 (mM)
4	1	reservoir	PEG6000	18 (%)
5	1	resrvoir	Tris/HCl	200 (mM)
6	1	reservoir	dithiothreitol	1 (mM)
7	1	reservoir	EDTA	1 (mM)
8	1	reservoir		1 (mM)