3UQG

c-SRC kinase domain in complex with bumpless BKI analog UW1243

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	2011-02-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 1
Unit cell lengths	42.540, 63.720, 74.980
Unit cell angles	78.17, 89.34, 90.08

Refinement procedure

Resolution	53.210 - 2.200
R-factor	0.2302
Rwork	0.229
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.231
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.370	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.114	0.893
Number of reflections	38121
<I/σ(I)>	7.2	1.3
Completeness [%]	97.3	96.7
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	9% PEG 2000, 100 mM MES pH 7, 2.0 mM UW1243 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K