2HRM

Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8500
Spacegroup name	P 63 2 2
Unit cell lengths	75.650, 75.650, 101.558
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.16956
Rwork	0.168
R-free	0.19559
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1euw
RMSD bond length	0.019
RMSD bond angle	1.677
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	19276
<I/σ(I)>	14.5	2.4
Completeness [%]	99.1	99.4
Redundancy	3.16	3.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	20% PEG 3350, 0.2M SODIUM ACETATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K