3UA7

Crystal Structure of the Human Fyn 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	2010-05-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	51.390, 51.390, 185.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.500
R-factor	0.1899
Rwork	0.185
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shf
RMSD bond length	0.018
RMSD bond angle	1.877
Data reduction software	MOSFLM (3.3.16)
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.526	19.540	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge	0.095	0.081	0.454
Total number of observations		6300	36494
Number of reflections	44446
<I/σ(I)>	9.1	6.7	1.6
Completeness [%]	98.3	85.2	100
Redundancy	5.4	4.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K