4Z9B

Crystal structure of Low Molecular Weight Protein Tyrosine Phosphatase isoform A complexed with benzylphosphonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-09
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	32.088, 54.287, 97.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 2.410
R-factor	0.21875
Rwork	0.215
R-free	0.30148
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5pnt
RMSD bond length	0.013
RMSD bond angle	1.562
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.800	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.145	0.562
Number of reflections	7097
<I/σ(I)>	16.34	2.94
Completeness [%]	99.7	100
Redundancy	11.84	11.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	32% (w/v) PEG 5000, 0.1 M malic acid:Tris, molar ratio 1:2, pH 7.0