5EC7

Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	83.472, 42.348, 52.579
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	19.640 - 1.650
R-factor	0.1933
Rwork	0.191
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
RMSD bond length	0.008
RMSD bond angle	0.932
Data reduction software	autoPROC
Data scaling software	Aimless (0.5.12)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.640	19.640	1.680
High resolution limit [Å]	1.650	8.890	1.650
Rmerge	0.054	0.027	0.439
Rpim	0.039	0.018	0.310
Total number of observations	59267	367	3116
Number of reflections	21249
<I/σ(I)>	11.7	27.4	2.3
Completeness [%]	95.7	87.4	96.2
Redundancy	2.8	2.6	2.9
CC(1/2)	0.998	0.998	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	2.5 M ammonium sulphate, 5% PEG 300, 2 % Glycerol, 0.1 M sodium acetate