6T7N

Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn

This is a non-PDB format compatible entry.

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	58.450, 58.450, 391.793
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.010 - 1.900
R-factor	0.1752
Rwork	0.173
R-free	0.20760
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.944
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]	50.000	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	58433	8979
<I/σ(I)>	35.46	2.69
Completeness [%]	98.9
Redundancy	4.9
CC(1/2)	1.000	0.873

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.