5KA4

Protein Tyrosine Phosphatase 1B T178A mutant, open state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-07-27
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03
Spacegroup name	C 1 2 1
Unit cell lengths	117.205, 46.501, 59.911
Unit cell angles	90.00, 90.39, 90.00

Refinement procedure

Resolution	35.094 - 2.185
R-factor	0.2087
Rwork	0.207
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.440
Data scaling software	Aimless (0.5.9)
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	2.210
High resolution limit [Å]	2.170	5.890	2.170
Rmerge	0.124	0.050	0.498
Total number of observations	40632
Number of reflections	15410
<I/σ(I)>	9.7
Completeness [%]	91.3	81.8	87.5
Redundancy	2.6	2.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1 M Tris, pH 8.0, 0.2 M MgCl2, 17% PEG8000