4BR2

rat NTPDase2 in complex with Ca UMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	41.580, 69.020, 164.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.110 - 2.000
R-factor	0.1692
Rwork	0.168
R-free	0.20094
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.901
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.000
High resolution limit [Å]	2.000
Rmerge	0.050
Number of reflections	32508
<I/σ(I)>	14.3
Completeness [%]	99.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		100 MM HEPES/NAOH PH 7.5, 2.5% PEG6000, 3MM NAN3