5EEQ

Grb7 SH2 with the G7-B1 bicyclic peptide inhibitor

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	2010-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	37.081, 63.811, 52.040
Unit cell angles	90.00, 92.50, 90.00

Refinement procedure

Resolution	40.306 - 1.600
R-factor	0.1746
Rwork	0.173
R-free	0.19610
RMSD bond length	0.005
RMSD bond angle	0.935
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.310
High resolution limit [Å]	1.600
Number of reflections	31961
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M bis-tris pH 5.5, 25% (w/v) PEG 3350