5KA9

Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	88.709, 88.709, 106.218
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.355 - 2.070
R-factor	0.1907
Rwork	0.189
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ka8
RMSD bond length	0.007
RMSD bond angle	0.841
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.110
High resolution limit [Å]	2.070	5.620	2.070
Rmerge	0.138	0.056	0.554
Total number of observations	318251
Number of reflections	29326
<I/σ(I)>	5
Completeness [%]	97.8	99.4	93.8
Redundancy	10.9	10.2	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	0.1 M Tris, 0.2 M mgCl2, 18.5% PEG8000