6L7Y

Crystal structure of Cet1 from Trypanosoma cruzi in complex with #466 ligand.

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	2017-02-22
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	1.10000
Spacegroup name	P 32 2 1
Unit cell lengths	115.943, 115.943, 56.749
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.400 - 2.510
R-factor	0.2032
Rwork	0.201
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l7v
RMSD bond length	0.003
RMSD bond angle	0.627
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.610
High resolution limit [Å]	2.510	2.510
Rmerge	0.083	1.208
Rmeas	0.087	1.273
Number of reflections	15320	1683
<I/σ(I)>	16.6
Completeness [%]	99.7
Redundancy	9.7
CC(1/2)	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES-NaOH (pH 7.5), ammonium sulfate