7T1U

Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	34.870, 35.890, 53.980
Unit cell angles	75.85, 74.77, 61.42

Refinement procedure

Resolution	51.570 - 2.650
R-factor	0.2237
Rwork	0.218
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f5a
RMSD bond length	0.007
RMSD bond angle	1.033
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.570	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.111	0.286
Number of reflections	5824	729
<I/σ(I)>	4.9	2.6
Completeness [%]	86.3	88.7
Redundancy	2.1	2.1
CC(1/2)	0.989	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	80 uM Zinc Acetate, 12% PEG3350, 100 mM Sodium Acetate (pH 4.0), and 2% 1,3-butanediol