1OGL

The crystal structure of native Trypanosoma cruzi dUTPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-15
Detector	ADSC CCD
Spacegroup name	P 63 2 2
Unit cell lengths	136.434, 136.434, 68.705
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.000 * - 2.400
R-factor	0.206
Rwork	0.203
R-free	0.26200 *
Structure solution method	MAD
Starting model (for MR)	LOW RESOLUTION MAD STRUCTURE
RMSD bond length	0.030 *
RMSD bond angle	2.120 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.051 *	0.411 *
Number of reflections	14827
<I/σ(I)>	32.4	4.1
Completeness [%]	97.5	88.4
Redundancy	7.2	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.6	290 *	Harkiolaki, M., (2001) Acta Cryst., D57, 915. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	15 (%)
2	1	reservoir		0.10 (M)
3	1	reservoir	sodium cacodylate	50 (mM)	pH6.6
4	1	drop	protein	20 (mg/ml)