5JNV

Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES

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	CCD
Collection date	2014-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	59.944, 122.939, 44.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.250 - 1.600
R-factor	0.156
Rwork	0.154
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pnt
RMSD bond length	0.035
RMSD bond angle	2.951
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]	36.250	36.250	1.550
High resolution limit [Å]	1.520	8.340	1.520
Rmerge	0.080	0.053	0.388
Number of reflections	24753
<I/σ(I)>	9
Completeness [%]	96.1	98.3	54.1
Redundancy	4.2	4.1	2.5
CC(1/2)	0.943

Crystallization Conditions

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