9FT9

Structure of the bipartite JNK1-JIP1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96546
Spacegroup name	P 31 2 1
Unit cell lengths	137.700, 137.700, 63.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.860 - 2.350
R-factor	0.2336
Rwork	0.231
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.115
Data reduction software	XDS (2023)
Data scaling software	XSCALE (2023)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.860	2.430
High resolution limit [Å]	2.350	2.350
Rmeas	0.140	1.700
Number of reflections	29338	2790
<I/σ(I)>	13.2
Completeness [%]	99.9	99.9
Redundancy	15.03	12.8
CC(1/2)	0.990	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	20% w/v PEG 3350, 0.1 M Bis Tris propane pH 6.5, 0.2 M sodium acetate trihydrate