7KEN

Protein Tyrosine Phosphatase 1B, D289A mutant, apo state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	P 31 2 1
Unit cell lengths	88.314, 88.314, 104.155
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.480 - 1.800
R-factor	0.20561
Rwork	0.204
R-free	0.24369
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b90
RMSD bond length	0.011
RMSD bond angle	1.418
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.480	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.178
Rmeas	0.187
Rpim	0.056
Number of reflections	40989	2129
<I/σ(I)>	6.2	0.3
Completeness [%]	100.0	100
Redundancy	10.8
CC(1/2)	0.997	0.315

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100 mM HEPES, 200 mM magnesium acetate, 14% PEG8000