3JVI

Product state mimic crystal structure of protein tyrosine phosphatase from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-20
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	44.995, 44.995, 133.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.640 - 1.800
R-factor	0.206
Rwork	0.204
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ido
RMSD bond length	0.012
RMSD bond angle	1.273
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.062	0.254
Number of reflections	12964
<I/σ(I)>	22.84	5.71
Completeness [%]	96.2	100
Redundancy	7.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	Emerald Biosystems Wizard II screen condition 41, 2.0 M Ammonium sulfate, 0.1 M Tris-HCl pH 7.0, 0.2 M Lithium sulfate, 26.1 mg/mL protein. Crystal tracking ID 203693h5, expression tag removed with 3C protease, VAPOR DIFFUSION, SITTING DROP, temperature 289K