2YFC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-25
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	78.733, 150.191, 52.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.001 - 2.010
R-factor	0.1796
Rwork	0.177
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yf9
RMSD bond length	0.012
RMSD bond angle	1.151
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]	40.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.360
Number of reflections	48355
<I/σ(I)>	11.2	2.7
Completeness [%]	97.8	93.4
Redundancy	3.4	2.9

Crystallization Conditions

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