6SE2

Trypanosoma cruzi farnesyl diphosphate synthase apo structure with zinc ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 61 2 2
Unit cell lengths	57.935, 57.935, 397.468
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.780 - 1.450
R-factor	0.1708
Rwork	0.170
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yhl
RMSD bond length	0.008
RMSD bond angle	0.913
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	397.468	1.540
High resolution limit [Å]	1.450	1.450
Number of reflections	71946	11290
<I/σ(I)>	32.83	6.42
Completeness [%]	100.0	99.9
Redundancy	5.4
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	4mM ZnSO4+ 8 mM MES pH:6.50, 12.36% PEG MME 550, 11.57% Glycerol. crystal obtained by microseeding: 160mM (NH4)2SO4, 80mM NaOAc pH:5.00, 20% PEG 4000, 20% Glycerol.