9NKN

Coevolved affibody pair A2B2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.9798
Spacegroup name	P 21 21 2
Unit cell lengths	43.655, 73.392, 39.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.570 - 1.950
R-factor	0.2089
Rwork	0.207
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.570	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.065	0.845
Rmeas	0.070	0.908
Rpim	0.026	0.326
Number of reflections	9697	1351
<I/σ(I)>	14.33	2.32
Completeness [%]	99.6	99.56
Redundancy	7.1	7.5
CC(1/2)	0.999	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	295	0.1 M bis-tris-propane pH 9, 30% PEG 6000