9NKO

Coevolved affibody pair A3B3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-09
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	46.042, 42.076, 59.881
Unit cell angles	90.00, 93.99, 90.00

Refinement procedure

Resolution	45.930 - 1.720
R-factor	0.2086
Rwork	0.205
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.792
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.930	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.113	2.584
Rmeas	0.121	2.758
Rpim	0.043	0.951
Number of reflections	24536	1741
<I/σ(I)>	8.18	0.67
Completeness [%]	99.9	99.89
Redundancy	7.8	8.2
CC(1/2)	0.996	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	0.2 M NaCl, 0.1 M bis-tris pH 6.5, 25% PEG 3350