6L7W

Crystal structure of Cet1 from Trypanosoma cruzi in complex with manganese ion.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-11
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	52.445, 73.208, 63.747
Unit cell angles	90.00, 114.06, 90.00

Refinement procedure

Resolution	47.890 - 2.600
R-factor	0.2414
Rwork	0.239
R-free	0.29410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1300014194
RMSD bond length	0.004
RMSD bond angle	0.570
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]	47.890	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.121	0.860
Rmeas	0.142	1.003
Number of reflections	13646	1652
<I/σ(I)>	9.9	1.7
Completeness [%]	99.8	99.4
Redundancy	3.8
CC(1/2)	0.996	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HEPES-NaOH, PEG 20000