4FYG

Structural basis for substrate recognition by a novel Legionella phosphoinositide phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	71.230, 114.833, 124.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.580 - 2.822
R-factor	0.18279
Rwork	0.179
R-free	0.25220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4fyf
RMSD bond length	0.012
RMSD bond angle	1.661
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.0)
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.820	2.820
Rmerge	0.102
Number of reflections	24387
<I/σ(I)>	28.6
Completeness [%]	96.8	78.9
Redundancy	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris-HCl pH8.0, 10% PEG3350, and 10% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 298K