8X4N

Crystal structure of the PI3P-binding domain of Legionella SetA in complex with inositol 1,3-bisphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-28
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	113.247, 36.915, 72.407
Unit cell angles	90.00, 111.61, 90.00

Refinement procedure

Resolution	29.520 - 2.460
R-factor	0.20737
Rwork	0.205
R-free	0.25322
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.859
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.520	2.550
High resolution limit [Å]	2.460	2.460
Rmerge	0.110
Rpim		0.437
Number of reflections	10267	478
<I/σ(I)>	21.5
Completeness [%]	99.1
Redundancy	3.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	20% (w/v) polyacrylic acid 5,100, 0.1 M HEPES pH 7.0, and 20 mM magnesium chloride