4BRQ

LEGIONELLA PNEUMOPHILA NTPDASE1 CRYSTAL FORM II, CLOSED, IN COMPLEX WITH TWO PHOSPHATES BOUND TO ACTIVE SITE MG AND PRODUCT AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH RAYONIX
Spacegroup name	P 1 21 1
Unit cell lengths	62.737, 85.497, 70.336
Unit cell angles	90.00, 106.20, 90.00

Refinement procedure

Resolution	29.140 - 1.450
R-factor	0.13923
Rwork	0.139
R-free	0.18711
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.020
RMSD bond angle	2.042
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.000
High resolution limit [Å]	1.450
Rmerge	0.080
Number of reflections	123883
<I/σ(I)>	13.1
Completeness [%]	98.4
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		100MM NAMES PH 5.0, 13% PEG3350, 20MM MGCL2, 20MM ADP