1PXH

Crystal structure of protein tyrosine phosphatase 1B with potent and selective bidentate inhibitor compound 2

Replaces:  1N6W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-01
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	52.840, 85.678, 88.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.150
R-factor	0.203
Rwork	0.200
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eeo
RMSD bond length	0.005 *
RMSD bond angle	1.190 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.074 *	0.302 *
Total number of observations	808140 *
Number of reflections	22384
Completeness [%]	99.3 *	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Barford, D., (1994) Science, 263, 1397. *