5CUV

Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790, 0.9791, 0.9639
Spacegroup name	C 2 2 21
Unit cell lengths	100.518, 103.017, 157.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.620
Rwork	0.177
R-free	0.23500
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.710
High resolution limit [Å]	2.620	5.630	2.620
Rmerge	0.110	0.079	0.507
Rmeas	0.115	0.082	0.531
Rpim	0.034	0.024	0.156
Total number of observations	280552
Number of reflections	24891
<I/σ(I)>	12.1
Completeness [%]	99.9	99.7	100
Redundancy	11.3	10.9	11.5
CC(1/2)		0.998	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	DL-malic acid, PEG3350, glycerol