5EEL

Grb7 SH2 with 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	2012-08-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	95.228, 95.228, 241.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.720 - 2.470
R-factor	0.188
Rwork	0.185
R-free	0.23200
RMSD bond length	0.007
RMSD bond angle	1.015
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	46.720
High resolution limit [Å]	2.470
Number of reflections	40842
<I/σ(I)>	16.84
Completeness [%]	100.0
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	5% v/v Tacsimate pH 5.0, 8% w/v PEG 3350