6Y2W

Crystal structure of the single mutant 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	2017-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	57.152, 41.760, 62.150
Unit cell angles	90.00, 96.57, 90.00

Refinement procedure

Resolution	33.640 - 1.770
R-factor	0.165
Rwork	0.163
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xww
RMSD bond length	0.013
RMSD bond angle	1.179
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]	33.640	1.833
High resolution limit [Å]	1.770	1.770
Rmerge	0.056	0.609
Rpim	0.030	0.330
Number of reflections	13623	1383
<I/σ(I)>	18.72	2.16
Completeness [%]	94.0	99.5
Redundancy	3.3	3.3
CC(1/2)	0.997	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2M Sodium acetate trihydrate, 0.1M Bis-Tris, 25% PEG3350, pH 6.5