1BZC

HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	P 31 2 1
Unit cell lengths	88.470, 88.470, 104.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.000 - 2.350
R-factor	0.204 *
Rwork	0.204
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hnp
RMSD bond length	0.007
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.033	0.089
Total number of observations	65906 *
Number of reflections	18772 *
<I/σ(I)>	16.8	8.2
Completeness [%]	94.4	93.8
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	4 *	Barfoed, D., (1994) J. Mol. Biol., 239, 726. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir	magnesium acetate	0.2 (M)
4	1	reservoir	PEG8000	12-16 (%(w/v))