5ECA

Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 6.5

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	C 2 2 21
Unit cell lengths	40.850, 56.003, 52.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.075 - 1.160
R-factor	0.1592
Rwork	0.158
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
RMSD bond length	0.007
RMSD bond angle	0.930
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]	19.080	19.080	1.180
High resolution limit [Å]	1.160	6.350	1.160
Rmerge	0.052	0.043	0.537
Rpim	0.028	0.023	0.302
Total number of observations	87407	593	3890
Number of reflections	20716
<I/σ(I)>	12.2	30.9	2.5
Completeness [%]	98.6	95.4	97.4
Redundancy	4.2	3.9	4
CC(1/2)	0.998	0.996	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1.8 M ammonium sulphate, 0.1 M MES