4EQU

Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	61.810, 49.040, 133.760
Unit cell angles	90.00, 101.42, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.2242
Rwork	0.223
R-free	0.24640
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	1.393
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.586	60.586	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.039	0.644
Total number of observations		6927	21729
Number of reflections	51438
<I/σ(I)>	6.8	14.9	1.2
Completeness [%]	96.4	98.6	82.5
Redundancy	4	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.25	277	0.1 M NaCacodylate pH 6.25, 0.24 M CaAcetate, 50% PEG 300, vapor diffusion, sitting drop, temperature 277K