1G7G

HUMAN PTP1B CATALYTIC DOMAIN COMPLEXES WITH PNU179326

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.918, 82.443, 88.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.203
Rwork	0.193
R-free	0.26200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PTP1B + 177496
RMSD bond length	0.019
RMSD bond angle	0.037
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.264
Total number of observations	249675 *
Number of reflections	15251
<I/σ(I)>	10.8
Completeness [%]	87.6	65.1 *
Redundancy	4.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG8000, Magnesium Acetate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K