4G63

Crystal structure of cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) in complex with phosphate ions from Legionella pneumophila, Northeast Structural Genomics Consortium Target LgR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	154.089, 154.089, 191.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.222
Rwork	0.222
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bde
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	COMO
Refinement software	CNS (1.3 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.079	0.590
Number of reflections	31731
<I/σ(I)>	30.54	6.12
Completeness [%]	99.6	100
Redundancy	11.5	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.15	291	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100 mM MES (pH 6.15), 20 % (w/v) PEG400, and 100 mM KBr, VAPOR DIFFUSION, HANGING DROP, temperature 291K