8DA6

Coevolved affibody-Z domain pair LL1.c5

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	2022-02-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.77488
Spacegroup name	P 21 21 21
Unit cell lengths	37.016, 42.105, 140.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.800 - 1.500
R-factor	0.2177
Rwork	0.216
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.008
RMSD bond angle	0.921
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]	35.800	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.066	3.090
Rmeas	0.069	3.223
Rpim	0.020	0.904
Number of reflections	36176	3545
<I/σ(I)>	20.23	0.95
Completeness [%]	99.8	99.66
Redundancy	12	0.95
CC(1/2)	0.999	0.452

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	2.4 M ammonium Sulfate 0.1 M citric acid pH 5.0 cryoprotected with sodium malonate