2VEY

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	93
Detector technology	IMAGE PLATE
Detector	RIGAKU MSC
Spacegroup name	P 21 21 21
Unit cell lengths	66.770, 72.210, 87.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.200
R-factor	0.2084
Rwork	0.208
R-free	0.26130
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.614
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	6.000
High resolution limit [Å]	2.200
Rmerge	0.080
Number of reflections	19400
<I/σ(I)>	9
Completeness [%]	90.6
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		100 MM TRIS PH 8.5, 17% PEG 20, 000, 100 MM MAGNESIUM CHLORIDE