7JUL

Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9791
Spacegroup name	I 4
Unit cell lengths	113.123, 113.123, 57.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.810 - 2.530
R-factor	0.1861
Rwork	0.184
R-free	0.23390
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d5r
RMSD bond length	0.007
RMSD bond angle	1.541
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.810	28.790	2.640
High resolution limit [Å]	2.530	8.750	2.530
Rmerge	0.076	0.040	0.561
Rmeas	0.081	0.043	0.605
Rpim	0.028	0.014	0.222
Total number of observations		2587	10279
Number of reflections	12325	316	1479
<I/σ(I)>	14.8	36.7	2.6
Completeness [%]	99.7	97.7	97.9
Redundancy	8.2	8.2	6.9
CC(1/2)	0.999	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	1:1 volume of well solution: 100 mM Bis-Tris propane pH 7.0, 1.2 M DL-malic acid