4X6S

Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide

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	2013-11-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	55.480, 68.895, 77.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.211 - 2.550
R-factor	0.2048
Rwork	0.202
R-free	0.25160
RMSD bond length	0.009
RMSD bond angle	1.188
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.218
High resolution limit [Å]	2.550
Number of reflections	10038
<I/σ(I)>	11.71
Completeness [%]	99.5
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05 M HEPES pH 7.0, 1% tryptone, 12% PEG3350