8RPP

Crystal structure of the JIP1-JIP2-SH3 heterodimer and the JIP2-JIP2-SH3 homodimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.96546
Spacegroup name	H 3
Unit cell lengths	68.470, 68.470, 177.259
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.086 - 1.867
Rwork	0.148
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.538
Data reduction software	AutoProcess (1.1.7)
Data scaling software	STARANISO (2.3.73)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.086	1.899
High resolution limit [Å]	1.867	1.867
Rmerge	0.075	0.550
Rmeas	0.098	0.644
Rpim	0.062	0.332
Number of reflections	25670	1340
<I/σ(I)>	10.8	2.7
Completeness [%]	99.6	100
Redundancy	3.5	3.6
CC(1/2)	0.996	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Malonate 1.5 M