6Y2V

Crystal structure of the double mutant L13R I16K of Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	56.625, 41.287, 56.898
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	33.360 - 2.000
R-factor	0.1851
Rwork	0.183
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xww
RMSD bond length	0.002
RMSD bond angle	0.472
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.360	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	0.580
Rpim	0.062	0.380
Number of reflections	9025	917
<I/σ(I)>	9.87	2.02
Completeness [%]	99.0	99.78
Redundancy	3.3	3.3
CC(1/2)	0.995	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1M Bis-Tris, 25% PEG3350, pH 5.5