6ICG

Grb2 SH2 domain in phosphopeptide free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	183
Detector technology	CCD
Collection date	2016-05-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	79.550, 79.550, 69.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.580 - 1.150
R-factor	0.1449
Rwork	0.144
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wa4
RMSD bond length	0.013
RMSD bond angle	1.355
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.150	1.150
Number of reflections	77235	11265
<I/σ(I)>	27.9	2.7
Completeness [%]	97.2	88.9
Redundancy	13.8	11.8
CC(1/2)	1.000	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Sodium chloride, 0.1 M HEPES (pH 7.5), 1.6 M Ammonium sulfate