6SFA

Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions

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	2018-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.893174
Spacegroup name	P 61 2 2
Unit cell lengths	57.746, 57.746, 397.563
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.620 - 1.900
R-factor	0.1691
Rwork	0.167
R-free	0.20170
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.690	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	57642	8564
<I/σ(I)>	24.24	2.6
Completeness [%]	98.4	90.3
Redundancy	7.6
CC(1/2)	0.996	0.875

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