1OET

Oxidation state of protein tyrosine phosphatase 1B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU MSC
Spacegroup name	P 31 2 1
Unit cell lengths	88.628, 88.628, 105.061
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.700 - 2.300
R-factor	0.171
Rwork	0.168
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c83
RMSD bond length	0.013 *
RMSD bond angle	1.400 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.29)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.092	0.250
Total number of observations	43942 *
Number of reflections	20755
<I/σ(I)>	7.3	2.8
Completeness [%]	96.0	94.9
Redundancy	2.1	2.15

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PTP1B	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))