4FYE

Crystal structure of a Legionella phosphoinositide phosphatase, SidF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	72.176, 115.959, 124.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.767 - 2.413
R-factor	0.2123
Rwork	0.210
R-free	0.25617
Structure solution method	SIRAS
RMSD bond length	0.017
RMSD bond angle	2.067
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.767	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.069
Number of reflections	40455
<I/σ(I)>	27.3
Completeness [%]	99.9	99.9
Redundancy	14.8

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 298.0K