4OOP

Arabidopsis thaliana dUTPase with with magnesium and alpha,beta-imido-dUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-21
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	70.089, 70.680, 75.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.970 - 1.500
R-factor	0.175
Rwork	0.174
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4OOQ
RMSD bond length	0.007
RMSD bond angle	1.164
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1606))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.970	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.067	0.320
Number of reflections	59499
<I/σ(I)>	46.4	7.7
Completeness [%]	98.5	97.3
Redundancy	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9	298	2 M ammonium sulfate, 0.1 M Tris-HCl, 0.02 M Taurine, 5mM dUpNHpp,5mM Magnesium, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K