6SDO

Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np

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)	0.9763
Spacegroup name	P 61 2 2
Unit cell lengths	57.824, 57.824, 398.248
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.080 - 1.680
R-factor	0.1706
Rwork	0.170
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yhl
RMSD bond length	0.009
RMSD bond angle	0.950
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]	398.248	1.780
High resolution limit [Å]	1.680	1.680
Number of reflections	46230	6734
<I/σ(I)>	37.8	6.43
Completeness [%]	98.7	91.6
Redundancy	4.9
CC(1/2)	0.998	0.985

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