6PHS

Protein Tyrosine Phosphatase 1B (1-301), P185A 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	2016-07-25
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	87.704, 87.704, 102.961
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.350 - 2.129
R-factor	0.1998
Rwork	0.198
R-free	0.24120
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]	40.350	2.205
High resolution limit [Å]	2.129	2.129
Rmerge	0.062
Rmeas	0.067
Rpim	0.025
Number of reflections	26023	2535
<I/σ(I)>	10.04
Completeness [%]	99.5
Redundancy	5.8
CC(1/2)	0.998

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