5D9L

Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	33.450, 58.590, 78.570
Unit cell angles	90.00, 100.64, 90.00

Refinement procedure

Resolution	46.680 - 2.150
R-factor	0.168
Rwork	0.165
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Refinement software	BUSTER-TNT (BUSTER 2.11.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.680	46.680	2.410
High resolution limit [Å]	2.150	4.820	2.150
Rmerge	0.184	0.055	0.616
Rpim	0.111	0.034	0.372
Total number of observations	59944	5327	16998
Number of reflections	16295
<I/σ(I)>	7.9	18.4	2.6
Completeness [%]	99.8	99.7	99.7
Redundancy	3.7	3.6	3.7
CC(1/2)	0.981	0.997	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG3350, 0.2 M lithium citrate