5TYI

Grb7 SH2 with bicyclic peptide containing pY mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	45.070, 107.610, 48.012
Unit cell angles	90.00, 101.38, 90.00

Refinement procedure

Resolution	44.184 - 2.150
R-factor	0.2087
Rwork	0.207
R-free	0.24590
RMSD bond length	0.009
RMSD bond angle	1.256
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.184
High resolution limit [Å]	2.150
Number of reflections	24095
<I/σ(I)>	4.9
Completeness [%]	98.7
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, NaSCN