5GJH

Gads SH2 domain/CD28-derived peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.7000
Spacegroup name	P 21 21 21
Unit cell lengths	33.602, 53.338, 108.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.850 - 1.200
R-factor	0.1494
Rwork	0.148
R-free	0.16950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r1q
RMSD bond length	0.013
RMSD bond angle	1.591
Data reduction software	XDS (March 1, 2015)
Data scaling software	XDS (March 1, 2015)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.270
High resolution limit [Å]	1.200	1.200
Rmerge	0.059	0.389
Number of reflections	61484
<I/σ(I)>	14.5	3.7
Completeness [%]	99.3	99.3
Redundancy	6.6	6.7
CC(1/2)	0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM HEPES-NaOH, 10% PEG 6000, 20% MPD