6IPY

His-tagged Fyn SH3 domain R96I mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 41
Unit cell lengths	41.520, 41.520, 32.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.520 - 1.343
R-factor	0.182
Rwork	0.181
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h0h
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.520	1.391
High resolution limit [Å]	1.343	1.343
Rmerge	0.073	1.374
Rmeas	0.076	1.479
Rpim	0.021	0.523
Number of reflections	12432	1125
<I/σ(I)>	20.23	0.76
Completeness [%]	98.6	87.67
Redundancy	12.5	7.3
CC(1/2)	0.999	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	295	0.1M Citric acid pH 3.5 and 25%(w/v) Polyethylene glycol 3,350