6PHA

Protein Tyrosine Phosphatase 1B (1-301), F182A 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	2016-07-22
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	87.560, 87.560, 102.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.120 - 2.299
R-factor	0.2266
Rwork	0.224
R-free	0.27650
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]	31.120	2.381
High resolution limit [Å]	2.299	2.299
Rmerge	0.215
Rmeas	0.227
Rpim	0.072
Number of reflections	20246	2032
<I/σ(I)>	4.4
Completeness [%]	98.0
Redundancy	9.5
CC(1/2)	0.992

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