5D0J

Grb7 SH2 with 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	2012-08-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	33.980, 94.040, 131.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.245 - 2.600
R-factor	0.1899
Rwork	0.187
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qms
RMSD bond length	0.007
RMSD bond angle	1.077
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.245	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.179
Number of reflections	13653
<I/σ(I)>	9.56	2.83
Completeness [%]	99.8	99.55
Redundancy	10.2	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	sodium fluoride, PEG 3350