8DA8

Coevolved affibody-Z domain pair LL2.c1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.82653
Spacegroup name	C 1 2 1
Unit cell lengths	50.251, 54.556, 34.721
Unit cell angles	90.00, 97.64, 90.00

Refinement procedure

Resolution	26.460 - 1.290
R-factor	0.2145
Rwork	0.213
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.012
RMSD bond angle	1.161
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.460	1.336
High resolution limit [Å]	1.290	1.290
Rmerge	0.060	1.304
Rmeas	0.065	1.404
Rpim	0.024	0.517
Number of reflections	22160	2223
<I/σ(I)>	17.31	1.86
Completeness [%]	94.4	94.25
Redundancy	7.1	7.2
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2.5 M ammonium sulfate 100 mM HEPES pH 7.0 Cryoprotected with 30% glycerol