5OB2

Crystal structure of the c-Src-SH3 domain E97T mutant in complex with the high affinity peptide APP12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.965
Spacegroup name	P 1 21 1
Unit cell lengths	30.720, 31.704, 66.722
Unit cell angles	90.00, 99.04, 90.00

Refinement procedure

Resolution	19.288 - 1.800
R-factor	0.1995
Rwork	0.198
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
RMSD bond length	0.008
RMSD bond angle	0.845
Data reduction software	XDS
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.290	19.290	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.059	0.039	0.244
Rmeas	0.076	0.053	0.308
Rpim	0.047	0.035	0.186
Number of reflections	21432
<I/σ(I)>	9.8
Completeness [%]	93.1	82.1	96.6
Redundancy	2.3	2.2	2.3
CC(1/2)	0.994	0.991	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	1.9 M Ammonium sulphate, 0.1 M sodium acetate and 10% PEG 400