3P48

Structure of the yeast dUTPase DUT1 in complex with dUMPNPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	51.784, 58.868, 112.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.470 - 1.670
R-factor	0.156
Rwork	0.154
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f4f
RMSD bond length	0.017
RMSD bond angle	1.656
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	1.760
High resolution limit [Å]	1.670	1.670
Rmerge	0.043	0.239
Number of reflections	40597
<I/σ(I)>	28.4	8.2
Completeness [%]	96.1	99.8
Redundancy	6.3	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	30% Jeffamine ED-2001, 0.1M HEPES pH7, 3mM MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K