4BVP

Legionella pneumophila NTPDase1 crystal form II (closed) in complex with heptamolybdate and octamolybdate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	64.564, 85.436, 71.779
Unit cell angles	90.00, 103.94, 90.00

Refinement procedure

Resolution	45.340 - 1.490
R-factor	0.12652
Rwork	0.126
R-free	0.16858
Structure solution method	OTHER
RMSD bond length	0.021
RMSD bond angle	2.577
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.300
High resolution limit [Å]	1.490
Rmerge	0.060
Number of reflections	119751
<I/σ(I)>	18.4
Completeness [%]	96.5
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				100MM NAMES PH 5.2, 11% PEG3350, 20MM MGCL2