1TCD

TRYPANOSOMA CRUZI TRIOSEPHOSPHATE ISOMERASE

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1996-10-02
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	43.710, 77.650, 149.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.830
R-factor	0.191
Rwork	0.191
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tim
RMSD bond length	0.013
RMSD bond angle	24.700 *
Data reduction software	SAINT
Data scaling software	SAINT ((SCALING ADAPTED FROM XSCALIBRE))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.930
High resolution limit [Å]	1.830	1.830
Rmerge	0.109	0.109
Total number of observations	132483 *
Number of reflections	42089
<I/σ(I)>	10	3
Completeness [%]	97.4	58.5
Redundancy	2.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	Na-Hepes	0.1 (M)
3	1	reservoir	PEG400	2 (%(v/v))
4	1	reservoir	ammonium sulfate	2.0 (M)