1OGK

The crystal structure of Trypanosoma cruzi dUTPase in complex with dUDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	106.386, 50.307, 111.387
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	20.000 * - 2.900 *
R-factor	0.209
Rwork	0.205
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.020
RMSD bond angle	1.930 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.085	0.442
Number of reflections	27211
<I/σ(I)>	9.46	1.1
Completeness [%]	99.7	97.3
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	17 *	25% PEG 2000 MME, 0.3M SODIUM FORMATE, 50 MM SODIUM HEPES PH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium formate	0.3 (M)
2	1	reservoir	PEG2000 MME	25 (%)
3	1	reservoir	sodium HEPES	50 (mM)	pH7.0