4BVO

Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 63 2 2
Unit cell lengths	143.692, 143.692, 75.166
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	124.440 - 1.700
R-factor	0.15036
Rwork	0.149
R-free	0.19757
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	1.420
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.400
High resolution limit [Å]	1.700
Rmerge	0.100
Number of reflections	50327
<I/σ(I)>	18.1
Completeness [%]	99.3
Redundancy	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				100MM TRIS PH 7.3, 200MM K NA TARTRATE, 18% PEG3350, 10MM POM1