8PX4

Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-07-13
Detector	DECTRIS PILATUS 12M
Wavelength(s)	3.09
Spacegroup name	P 21 21 2
Unit cell lengths	54.910, 144.560, 48.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.280 - 2.500
R-factor	0.24325
Rwork	0.242
R-free	0.27653
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.656
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.280	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.083	1.433
Rmeas	0.084
Rpim	0.012
Number of reflections	12470	1065
<I/σ(I)>	41.69	2.39
Completeness [%]	81.0	78.66
Redundancy	49.2
CC(1/2)	0.998	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BIS-Tris pH 5,5, 17% w/v PEG 10,000, and 0.1 M Ammonium acetate