6C4S

Human cSrc SH3 Domain in complex with Choline Kinase fragment 60-69

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	31.117, 38.753, 57.966
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	57.680 - 1.500
R-factor	0.18912
Rwork	0.187
R-free	0.22626
RMSD bond length	0.019
RMSD bond angle	1.950
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.680	1.590
High resolution limit [Å]	1.500	1.500
Number of reflections	39617
<I/σ(I)>	7.45
Completeness [%]	90.2
Redundancy	1.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Zinc Acetate 0.1 M Sodium Cacodylate pH 6.5 10% v/v Isopropanol