9GGO

Strand-swapped dimer of engineered copper binding SH3-like protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-23
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.3694
Spacegroup name	P 31 2 1
Unit cell lengths	56.509, 56.509, 58.778
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.610 - 2.000
R-factor	0.2046
Rwork	0.203
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.640
Data reduction software	XDS (20230630)
Data scaling software	Aimless (1.12.16)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.610	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.162	2.814
Rpim	0.038	0.653
Number of reflections	15348	1092
<I/σ(I)>	12.3	1.5
Completeness [%]	100.0	100
Redundancy	20.9
CC(1/2)	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	Reservoir: 1.26 M ammonium sulfate, 0.1 M CHES pH 9.5, 0.2 M sodium chloride. Drops contained 300 nL reservoir solution and 300 nL concentrated protein.