9NKM

Coevolved affibody pair A4B1

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	2023-10-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	39.931, 74.802, 147.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.250 - 2.500
R-factor	0.2334
Rwork	0.230
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.640
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]	36.250	2.660
High resolution limit [Å]	2.500	2.500
Rmerge	0.105	1.041
Rmeas	0.115	1.128
Rpim	0.045	0.431
Number of reflections	7909	1284
<I/σ(I)>	9.99	1.75
Completeness [%]	99.3	99.3
Redundancy	6.5	6.8
CC(1/2)	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.1 M bis-tris-propane pH 9.0, 30% PEG 6000