4I93

Structure of the BSK8 kinase domain (SeMet labeled)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	CCD
Collection date	2008-11-29
Detector	MAR CCD 165 mm
Wavelength(s)	0.979670
Spacegroup name	P 1 21 1
Unit cell lengths	50.898, 77.552, 68.147
Unit cell angles	90.00, 105.67, 90.00

Refinement procedure

Resolution	33.390 - 1.500
R-factor	0.1807
Rwork	0.180
R-free	0.20780
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000		1.600
High resolution limit [Å]	1.500	16.000	1.500
Rmerge	0.049	0.039	0.268
Rmeas		0.027	0.250
Number of reflections	79966	94	26194
<I/σ(I)>	19.2	25.56	6.58
Completeness [%]	98.0	73.1	97
Redundancy	4.23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	15-25%(w/v) PEG3350, 200mM KSCN, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	15-25%(w/v) PEG3350, 200mM KSCN, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	15-25%(w/v) PEG3350, 200mM KSCN, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K