6L7V

Crystal structure of Cet1 from Trypanosoma cruzi in complex with tripolyphosphate, manganese and iodide ions.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-07
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	1.90000
Spacegroup name	P 32 2 1
Unit cell lengths	67.266, 67.266, 76.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.420 - 2.200
R-factor	0.2256
Rwork	0.224
R-free	0.26070
Structure solution method	AB INITIO PHASING
RMSD bond length	0.003
RMSD bond angle	0.619
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.420	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.095	5.854
Rmeas	0.096	5.939
Number of reflections	21226	1814
<I/σ(I)>	33.5	0.7
Completeness [%]	100.0
Redundancy	38.6
CC(1/2)	1.000	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	sodium acetate (pH 5.0), 1,4-butandiol