4Z9A

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	32.750, 55.230, 97.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.070 - 2.100
R-factor	0.1832
Rwork	0.179
R-free	0.23511
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5pnt
RMSD bond length	0.014
RMSD bond angle	1.660
Data reduction software	MOSFLM
Data scaling software	SCALA (Version 3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.600	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.085	0.508
Number of reflections	10699
<I/σ(I)>	9.2	2.2
Completeness [%]	98.2	97.3
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	26% (w/v) PEG 5000, 0.2 M ammonium sulfate, 0.2 M MES buffer pH 6.5