4YR8

Crystal structure of JNK in complex with a regulator protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	58.151, 74.850, 134.810
Unit cell angles	76.94, 84.32, 67.44

Refinement procedure

Resolution	38.020 - 2.400
R-factor	0.218
Rwork	0.217
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ukh 1zzw
RMSD bond length	0.015
RMSD bond angle	1.564
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.064	0.609
Number of reflections	78865
<I/σ(I)>	14.1	1.9
Completeness [%]	99.6	99.9
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1M HEPES, pH 7.0, 14% PEG 3350, 0.2M MgCl2, 6% 1,6-Hexanediol, 0.005M EDTA