6SF9

Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 61 2 2
Unit cell lengths	57.987, 57.987, 398.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.690 - 1.590
R-factor	0.184
Rwork	0.183
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yhl
RMSD bond length	0.009
RMSD bond angle	0.923
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]	48.690	1.690
High resolution limit [Å]	1.590	1.590
Number of reflections	54312	8015
<I/σ(I)>	19.9
Completeness [%]	98.8	92.7
Redundancy	8.7
CC(1/2)	0.998	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	180mM (NH4)2SO4, 80mM NaOAc pH:5.50, 20% PEG 4000, 20% Glycerol.