6L7X

Crystal structure of Cet1 from Trypanosoma cruzi in complex with #951 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	114.673, 114.673, 56.666
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.650 - 2.390
R-factor	0.2056
Rwork	0.204
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l7v
RMSD bond length	0.003
RMSD bond angle	0.698
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]	49.650	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.101	1.860
Rmeas	0.106	1.953
Number of reflections	17359	1792
<I/σ(I)>	14.8	1.7
Completeness [%]	99.9
Redundancy	4.9
CC(1/2)	0.999	0.776

Crystallization Conditions

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