6KIP

Crystal structure of PTPRD phosphatase domain in complex with Liprin-alpha3 tandem SAM domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	98.012, 98.012, 140.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.250 - 1.911
R-factor	0.1645
Rwork	0.162
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fh7 3tad
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.940
High resolution limit [Å]	1.910	5.180	1.910
Rmerge	0.105	0.088	0.278
Rmeas	0.108	0.091	0.318
Rpim	0.026	0.020	0.149
Total number of observations	530555
Number of reflections	52100	2926	2404
<I/σ(I)>	7.4
Completeness [%]	97.3	99.3	91.2
Redundancy	10.2	19.7	3.5
CC(1/2)		0.996	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	15% PEG 3350 and 0.1 M Tris-HCl (pH 8.5)