4GFV

PTPN18 in complex with HER2-pY1196 phosphor-peptides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Collection date	2011-08-07
Detector	SYNTEX
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	74.348, 91.341, 92.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.002 - 2.095
R-factor	0.2483
Rwork	0.246
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oc3
RMSD bond length	0.010
RMSD bond angle	1.277
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.279
High resolution limit [Å]	2.095	2.095
Rmerge	0.052
Number of reflections	36335
Completeness [%]	96.5	98
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295.15	18%-22% PEG4K, 6% Jeffamine M 600, 0.1 M HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K
1	VAPOR DIFFUSION, HANGING DROP	6.8	295.15	18%-22% PEG4K, 6% Jeffamine M 600, 0.1 M HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K