8F2P

Nef SF2 dimerization mutant bound to Hck SH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033200
Spacegroup name	P 41 21 2
Unit cell lengths	84.051, 84.051, 83.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.370 - 2.630
R-factor	0.2142
Rwork	0.212
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u5w
RMSD bond length	0.003
RMSD bond angle	0.517
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XDS (Jan 10, 2022)
Phasing software	PHASER (1.19.1-4122)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.790
High resolution limit [Å]	2.630	7.800	2.630
Rmerge	0.111	0.054	1.796
Rmeas	0.115	0.056	1.852
Number of reflections	9299	415	1458
<I/σ(I)>	16.47
Completeness [%]	100.0
Redundancy	16.7
CC(1/2)	0.999	0.999	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.1 M sodium chloride, 0.1 M sodium acetate, pH 4.6, 12% v/v MPD