2YFD

STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mg and dUMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-03
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	78.090, 149.529, 52.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.934 - 1.767
R-factor	0.1857
Rwork	0.184
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yf9
RMSD bond length	0.010
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.840	1.860
High resolution limit [Å]	1.770	1.770
Rmerge	0.070	0.460
Number of reflections	57356
<I/σ(I)>	17.2	3.1
Completeness [%]	94.3	75
Redundancy	5.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.18 M LITHIUM ACETATE, 20% (W/V) PEG 3350, 10MM DUTP, 10MM MAGNESIUM CHLORIDE.