6G78

RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.979480
Spacegroup name	P 1 21 1
Unit cell lengths	52.015, 110.614, 66.559
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	28.515 - 2.500
R-factor	0.2265
Rwork	0.226
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g77
RMSD bond length	0.006
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.520	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.025
Number of reflections	26061	857
<I/σ(I)>	2.36
Completeness [%]	99.8	99.9
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	20 % PEG 6000, 0.1 M TRIS pH8, 2 mM Zinc chloride