1OEO

PTP1B with the catalytic cysteine oxidized to sulfonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-15
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	88.365, 88.365, 104.764
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.700 - 2.150
R-factor	0.184
Rwork	0.182
R-free	0.21500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hnp
RMSD bond length	0.026 *
RMSD bond angle	1.894 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.071	0.332
Total number of observations	183671 *
Number of reflections	26299
<I/σ(I)>	25.68	3.97
Completeness [%]	98.1	96.7
Redundancy	6.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	20 *	Barford, D., (1994) Science, 263, 1397. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	HEPES	0.1 (M)
2	1	1	magnesium acetate	0.2 (M)
3	1	1	PEG8000	14 (%(w/v))
4	1	1	protein	10 (mg/ml)