4QT7

Crystal structure of the c-Src SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-28
Wavelength(s)	0.93340
Spacegroup name	I 41
Unit cell lengths	62.307, 62.307, 27.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.979 - 1.550
R-factor	0.1605
Rwork	0.159
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
RMSD bond length	0.010
RMSD bond angle	1.263
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.980	24.980	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.091	0.044	0.489
Rpim		0.012	0.386
Total number of observations		642	801
Number of reflections	14570
<I/σ(I)>	23.7	54.4	2.3
Completeness [%]	98.2	97.2	82.8
Redundancy	9.6	11.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	2M Ammonium sulphate, 0.1M sodium chloride, 0.86mM methyl-beta-cyclodextrin, 0.1M Hepes, pH 7, vapor diffusion, hanging drop, temperature 298K