8DAC

Coevolved affibody-Z domain pair LL2.c22

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)	.8856
Spacegroup name	C 1 2 1
Unit cell lengths	50.443, 54.676, 34.637
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	36.930 - 1.190
R-factor	0.1622
Rwork	0.160
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.019
RMSD bond angle	1.453
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]	36.930	1.233
High resolution limit [Å]	1.190	1.190
Rmerge	0.069	2.251
Rmeas	0.075	2.494
Rpim	0.029	1.053
Number of reflections	28352	2038
<I/σ(I)>	12.62	0.66
Completeness [%]	94.3	66.45
Redundancy	6.5	5.3
CC(1/2)	0.999	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	295	2.5 M AmmSO4, 100 mM Tris pH 8.2 Cryoprotected with 30% glycerol