8DA5

Coevolved affibody-Z domain pair LL1.c4

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	38.612, 41.153, 160.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.030 - 1.000
R-factor	0.1689
Rwork	0.168
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.016
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.030	1.036
High resolution limit [Å]	1.000	1.000
Rmerge	0.077	2.947
Rmeas	0.080	3.073
Rpim	0.022	0.861
Number of reflections	138513	13660
<I/σ(I)>	10.75	0.7
Completeness [%]	99.1	98.87
Redundancy	12.7	12.6
CC(1/2)	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	2.3 M AmmPO4, 100 mM Tris pH 8.5 cryoprotected with 30% glycerol