5D9K

Rsk2 N-terminal Kinase in Complex with BI-D1870

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	2009-10-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	34.190, 53.710, 207.940
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	28.680 - 2.550
R-factor	0.183
Rwork	0.181
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.11.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.002	53.710	2.690
High resolution limit [Å]	2.550	8.060	2.550
Rmerge		0.086	0.515
Rmeas	0.152
Rpim	0.075	0.042	0.300
Total number of observations	85221	4225	11112
Number of reflections	23564
<I/σ(I)>	7	14.2	2.5
Completeness [%]	94.5	99.8	87.6
Redundancy	3.6	5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG3350, 0.075 M lithium citrate