4NND

Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	293
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	74.102, 95.284, 88.161
Unit cell angles	90.00, 94.02, 90.00

Refinement procedure

Resolution	34.959 - 2.502
R-factor	0.2638
Rwork	0.262
R-free	0.29070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.307
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.6.2_432)
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	3.390	2.590
High resolution limit [Å]	2.502	3.150	2.502
Number of reflections	40329
Completeness [%]	91.0	98.2	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	0.1 M HEPES, 25% PEG3350, 6% Jeffamine M-600, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K