3UQF

c-SRC kinase domain in complex with BKI RM-1-89

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	2011-01-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 1
Unit cell lengths	41.790, 63.240, 73.300
Unit cell angles	79.32, 89.35, 89.88

Refinement procedure

Resolution	36.320 - 2.270
R-factor	0.2275
Rwork	0.226
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.194
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	41.790
High resolution limit [Å]	2.270
Rmerge	0.101
Number of reflections	32963
<I/σ(I)>	8.3
Completeness [%]	96.8
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	9% PEG 4000, 100 mM MES pH 6.5, 5 mM Sodium Acetate, 2.0 mM RM-1-89 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K