5BUG

Crystal structure of human phosphatase PTEN oxidized by H2O2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-12
Detector	PSI PILATUS 6M
Wavelength(s)	1.00001
Spacegroup name	C 2 2 21
Unit cell lengths	206.870, 206.830, 87.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.400
R-factor	0.1769
Rwork	0.175
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d5r
RMSD bond length	0.010
RMSD bond angle	1.679
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.500
High resolution limit [Å]	2.400	20.000	2.400
Rmerge	0.100	0.034	1.585
Rmeas	0.104	0.038	1.660
Total number of observations	881196
Number of reflections	73497	153	8347
<I/σ(I)>	19.82	58.28	1.59
Completeness [%]	100.0	91.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5, 1.25 M L-tartrat, 7.5% glycerol