6IPZ

Fyn SH3 domain R96W mutant, crystallized with 18-crown-6

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 21 2
Unit cell lengths	51.490, 51.490, 51.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.536 - 1.576
R-factor	0.1912
Rwork	0.190
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h0f
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]	36.536	1.633
High resolution limit [Å]	1.576	1.576
Rmerge	0.063	2.542
Rmeas	0.064	2.595
Rpim	0.013	0.515
Number of reflections	10112	988
<I/σ(I)>	29.66	0.91
Completeness [%]	99.8	98.38
Redundancy	25.6	24.9
CC(1/2)	1.000	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	0.08M Sodium acetate trihydrate pH 4.6, 1.6M Ammonium sulfate, 20%(v/v) Glycerol