4AZ1

Crystal structure of the Trypanosoma cruzi protein tyrosine phosphatase TcPTP1, a potential therapeutic target for Chagas' disease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-22
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3 2
Unit cell lengths	154.285, 154.285, 195.746
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.941 - 2.181
R-factor	0.1914
Rwork	0.190
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m4u
RMSD bond length	0.008
RMSD bond angle	1.059
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.060	0.660
Number of reflections	46460
<I/σ(I)>	37	2.7
Completeness [%]	99.6	100
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				3.2 M SODIUM FORMATE