4NUS

Rsk2 N-terminal kinase in complex with LJH685

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	52.271, 62.812, 117.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.740 - 2.390
R-factor	0.1911
Rwork	0.189
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	PROCESS
Data scaling software	PROCESS
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.740	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.115	1.080
Number of reflections	15841
<I/σ(I)>	13	1.8
Completeness [%]	100.0	100
Redundancy	5.8	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	12-24% PEG3350, 100 mM sodium malonate pH 5-7, microseeding, VAPOR DIFFUSION, HANGING DROP, temperature 291K