5JNW

Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	60.347, 125.493, 45.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.700 - 1.860
R-factor	0.1683
Rwork	0.166
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jnv
RMSD bond length	0.034
RMSD bond angle	2.829
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.700	36.700	1.900
High resolution limit [Å]	1.860	9.100	1.860
Rmerge	0.057	0.040	0.449
Number of reflections	14411
<I/σ(I)>	12.7
Completeness [%]	96.6	96.6	60.3
Redundancy	4.2	3.6	3.1
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	20% PEG 3350, 0.2 M NaCl, Bis Tris