2F6W

Protein tyrosine phosphatase 1B with sulfamic acid inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-03
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	88.005, 88.005, 103.701
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.700 - 2.200
R-factor	0.165
Rwork	0.161
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ptv
RMSD bond length	0.013
RMSD bond angle	2.572
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.700	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.410
Number of reflections	22552
<I/σ(I)>	8.83	2.36
Completeness [%]	93.6	93.8
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	18% PEG4000, 200 mM MgCl2, 100 mM TRIS-HCl, pH 8.0, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	8	298	18% PEG4000, 200 mM MgCl2, 100 mM TRIS-HCl, pH 8.0, VAPOR DIFFUSION, temperature 298K