5CUX

Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	122.893, 122.893, 127.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.800
Rwork	0.198
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cuv
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.900
High resolution limit [Å]	2.800	6.010	2.800
Rmerge	0.057	0.021	0.495
Rmeas	0.061	0.023	0.532
Rpim	0.023	0.009	0.193
Total number of observations	204818
Number of reflections	27934
<I/σ(I)>	18.2
Completeness [%]	99.9	99.5	100
Redundancy	7.3	6.7	7.5
CC(1/2)		1.000	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	magnesium sulfate heptahydrate, tri-sodium citrate dihydrate