8BQ3

Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide

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	2017-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.919970
Spacegroup name	P 65 2 2
Unit cell lengths	39.362, 39.362, 148.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.090 - 2.660
R-factor	0.2359
Rwork	0.230
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hvw
RMSD bond length	0.011
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	148.460	8.810
High resolution limit [Å]	2.660	2.660
Rmerge		0.969
Number of reflections	2330	280
<I/σ(I)>	14.7	15
Completeness [%]	99.1	96.6
Redundancy	15.6	15
CC(1/2)	0.998	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	25% w/vPEG 1500, 0.1M MIB (Sodium malonate dibasic monohydrate, Imidazole, Boric acid) pH 7.0