5H4J

Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	98
Detector technology	CCD
Collection date	2013-02-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 21 3
Unit cell lengths	89.645, 89.645, 89.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.760 - 1.800
R-factor	0.16961
Rwork	0.169
R-free	0.17316
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q5u
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.760	1.860
High resolution limit [Å]	1.800	1.800
Rmerge		0.237
Number of reflections	22554
<I/σ(I)>	24.9	10.4
Completeness [%]	99.9	99.7
Redundancy	8.4	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	15~20% PEG 4000, 50mM Tris, 150mM Sodium Acetate, 5mM Zn Acetate