7JVX

Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	277
Detector technology	PIXEL
Collection date	2017-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	I 4
Unit cell lengths	113.390, 113.390, 57.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 3.200
R-factor	0.2472
Rwork	0.244
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d5r
RMSD bond length	0.010
RMSD bond angle	1.738
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	19.800	3.200
High resolution limit [Å]	2.900	10.000	2.900
Rmerge	0.212	0.101	0.579
Rmeas	0.252	0.118	0.796
Total number of observations	20136
Number of reflections	7482	178	1632
<I/σ(I)>	3.19	8.32	0.81
Completeness [%]	90.3	81.7	78.3
Redundancy	2.691	3.393	1.466
CC(1/2)	0.973	0.983	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	300 mM citrate