6SDN

Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 61 2 2
Unit cell lengths	58.025, 58.025, 397.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.480 - 1.510
R-factor	0.1633
Rwork	0.162
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yhl
RMSD bond length	0.008
RMSD bond angle	0.885
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	1.600
High resolution limit [Å]	1.510	1.510
Number of reflections	64357	10121
<I/σ(I)>	17.55	3.13
Completeness [%]	99.9	99.5
Redundancy	11
CC(1/2)	0.996	0.899

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