3NHN

Crystal structure of the SRC-family kinase HCK SH3-SH2-linker regulatory region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Detector technology	CCD
Collection date	2009-07-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 31
Unit cell lengths	60.714, 60.714, 49.581
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.890 - 2.610
R-factor	0.1198
Rwork	0.119
R-free	0.17640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qcf
RMSD bond length	0.007
RMSD bond angle	1.062
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.660
High resolution limit [Å]	2.610	7.080	2.610
Rmerge	0.056	0.039	0.278
Number of reflections	6220
<I/σ(I)>	33.6
Completeness [%]	98.2	98.7	78.9
Redundancy	3.4	3.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	25% (v/v) polyethylene glycol 3,350, 0.15 M KSCN, 0.05 M NaCl, and 1:100 dilution of Hck-SH3-SH2-linker crystal seeds (grown in 25% v/v polyethylene glycol 3,350, 0.1 M Tris pH 8.5, 0.2 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K