4H36

Crystal Structure of JNK3 in Complex with ATF2 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	2011-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.17
Spacegroup name	P 31 2 1
Unit cell lengths	84.580, 84.580, 127.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.126 - 3.000
R-factor	0.2188
Rwork	0.216
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jnk
RMSD bond length	0.003
RMSD bond angle	0.845
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7.1_743)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.126	40.130	3.070
High resolution limit [Å]	3.000	7.020	3.000
Number of reflections	10970
Completeness [%]	99.9	99.1	85.3
Redundancy	5.9

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