7AH3

Kinase domain of cSrc in complex with a pyrazolopyrimidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	42.260, 63.420, 74.930
Unit cell angles	101.72, 90.89, 90.01

Refinement procedure

Resolution	43.260 - 1.950
R-factor	0.1891
Rwork	0.187
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o2p
RMSD bond length	0.010
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.260	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.083	1.196
Rmeas	0.098	1.424
Rpim	0.052	0.762
Number of reflections	53873	5274
<I/σ(I)>	9.19
Completeness [%]	97.0	95.13
Redundancy	3.5	3.4
CC(1/2)	0.997	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0 to 30 mM NaCl, pH 7.0 9 to 20 % ethylene glycol