4RH9

Crystal structure of PTPN3 (PTPH1) H812F, M883G mutant in complex with Eps15 pTyr849 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-06
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	58.084, 67.630, 69.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.811 - 1.598
R-factor	0.1962
Rwork	0.195
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rh5
RMSD bond length	0.011
RMSD bond angle	1.408
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: dev_1281))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.598	1.600
Rmerge	0.100	0.600
Number of reflections	34544
<I/σ(I)>	13.5	3.4
Completeness [%]	93.1	97.3
Redundancy	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, 21% PEG 8000, 5% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K