5U06

Grb7-SH2 with bicyclic peptide inhibitor containing a 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	47.980, 109.741, 48.330
Unit cell angles	90.00, 103.44, 90.00

Refinement procedure

Resolution	35.740 - 2.100
R-factor	0.2153
Rwork	0.206
R-free	0.25260
RMSD bond length	0.004
RMSD bond angle	0.716
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.740
High resolution limit [Å]	2.100
Number of reflections	28374
<I/σ(I)>	5.1
Completeness [%]	99.9
Redundancy	3.6

Crystallization Conditions

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