5CUY

Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-22
Detector	RAYONIX MX300HE
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	199.917, 70.137, 141.759
Unit cell angles	90.00, 106.38, 90.00

Refinement procedure

Resolution	25.000 - 2.500
Rwork	0.194
R-free	0.25150
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	2.590
High resolution limit [Å]	2.500	5.370	2.500
Rmerge	0.090	0.057	0.383
Rmeas	0.108	0.068	0.458
Rpim	0.058	0.037	0.249
Total number of observations	216422
Number of reflections	64763
<I/σ(I)>	9.6
Completeness [%]	98.8	98.7	94.7
Redundancy	3.3	3.3	3.1
CC(1/2)		0.994	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	298	potassium citrate tribasic,PEG 3350