6PGT

Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	93
Detector technology	CCD
Collection date	2016-07-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	88.078, 88.078, 103.651
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.140 - 2.200
R-factor	0.1903
Rwork	0.188
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkq
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.140	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.086
Rmeas	0.090
Rpim	0.028
Number of reflections	23137	2296
<I/σ(I)>	16.93
Completeness [%]	96.1
Redundancy	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Hepes, 0.2 M magnesium acetate and 15-20% polyethylene glycol 8000