7MF4

Crystal structure of Trypanosoma cruzi cytosolic Malic Enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	73.268, 73.268, 233.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.220 - 1.550
R-factor	0.1781
Rwork	0.177
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wja
RMSD bond length	0.013
RMSD bond angle	1.905
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.220	29.220	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.089	0.039	1.609
Rpim		0.011
Number of reflections	93475	696	4549
<I/σ(I)>	17.9
Completeness [%]	100.0	97.6	100
Redundancy	14.4	11.9	12.5
CC(1/2)	0.999	0.999	0.613

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	100 mM HEPES pH 7.5, 1.4 M trisodium citrate