4H39

Crystal Structure of JNK3 in Complex with JIP1 Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-01-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.17
Spacegroup name	P 21 21 21
Unit cell lengths	63.206, 83.711, 83.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.510 - 1.992
R-factor	0.2113
Rwork	0.209
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jnk
RMSD bond length	0.003
RMSD bond angle	0.720
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7.1_743)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.510	37.520	2.090
High resolution limit [Å]	1.992	4.910	1.992
Number of reflections	29642
<I/σ(I)>	49.3
Completeness [%]	95.3	98.9	81.9
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	294	0.2 M sodium chloride, 0.1 M Bis-Tris, 28-31% PEG3350, pH 5.5, VAPOR DIFFUSION, temperature 294K