6XVM

Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 2

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	2019-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	40.610, 52.519, 45.589
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	40.610 - 0.900
R-factor	0.1394
Rwork	0.139
R-free	0.14950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.610	40.610	0.920
High resolution limit [Å]	0.900	4.930	0.900
Rmerge	0.040	0.040	0.180
Rmeas	0.045	0.046	0.246
Rpim	0.021	0.021	0.166
Total number of observations		2883	4619
Number of reflections	257512	686	2811
<I/σ(I)>	16.2	20.2	6.5
Completeness [%]	92.5	76.6	40.2
Redundancy	3.9	4.2	1.6
CC(1/2)	0.998	0.996	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	3M ammonium sulfate, 0.1 M MES