5JNT

Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0781
Spacegroup name	P 21 21 21
Unit cell lengths	33.905, 55.018, 96.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.900 - 1.450
R-factor	0.1362
Rwork	0.135
R-free	0.16580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jnr
RMSD bond length	0.036
RMSD bond angle	3.023
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.900	33.900	1.380
High resolution limit [Å]	1.360	7.440	1.360
Rmerge	0.039	0.023	0.227
Number of reflections	38952
<I/σ(I)>	25
Completeness [%]	97.8	87.2	72.7
Redundancy	5.9	5.5	1.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	20% PEG 3350, 200 mM NaCl, 40 mM MES