1G1H

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH A BIS-PHOSPHORYLATED PEPTIDE (ETD(PTR)(PTR)RKGGKGLL) FROM THE INSULIN RECEPTOR KINASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-17
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	44.827, 90.112, 53.591
Unit cell angles	90.00, 99.21, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.207 *
Rwork	0.207
R-free	0.24500
RMSD bond length	0.016
RMSD bond angle	2.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.058	0.132
Total number of observations	105145 *
Number of reflections	16411
<I/σ(I)>	20.3
Completeness [%]	99.4	96
Redundancy	6.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	4 *	PEG 8000, MgCl2, dithiothreitol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 302.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	C215A PTP1B	10 (mg/ml)
2	1	drop	peptide	0.9 (mM)
3	1	reservoir	PEG	14-18 (%)
4	1	reservoir		0.2 (M)
5	1	reservoir	dithiothreitol	5 (mM)
6	1	reservoir		0.1 (0.1)