8DA7

Coevolved affibody-Z domain pair LL1.c6

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	2022-01-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.77487
Spacegroup name	P 21 21 21
Unit cell lengths	35.617, 42.380, 74.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.270 - 1.020
R-factor	0.1612
Rwork	0.160
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.016
RMSD bond angle	1.420
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]	27.910	1.056
High resolution limit [Å]	1.020	1.020
Rmerge	0.065	2.470
Rmeas	0.069	2.631
Rpim	0.024	0.895
Number of reflections	57264	5584
<I/σ(I)>	12.91	0.8
Completeness [%]	98.8	97.38
Redundancy	8.1	8.4
CC(1/2)	0.999	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	2.5 M AmmSO4, 100 mM tris pH 8.5 cryoprotected with Na malonate