6SDP

Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np

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)	0.9762
Spacegroup name	P 61 2 2
Unit cell lengths	57.864, 57.864, 397.732
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.720 - 1.450
R-factor	0.1678
Rwork	0.167
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yhl
RMSD bond length	0.008
RMSD bond angle	0.919
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]	397.732	1.540
High resolution limit [Å]	1.450	1.450
Number of reflections	71867	11311
<I/σ(I)>	26.5	4.54
Completeness [%]	100.0	100
Redundancy	6.6
CC(1/2)	0.998	0.946

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.