8DAA

Coevolved affibody-Z domain pair LL2.c7

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	2022-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	49.588, 53.023, 68.662
Unit cell angles	90.00, 98.39, 90.00

Refinement procedure

Resolution	23.480 - 1.750
R-factor	0.2558
Rwork	0.251
R-free	0.29850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.002
RMSD bond angle	0.460
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]	23.480	1.813
High resolution limit [Å]	1.750	1.750
Rmerge	0.211	1.973
Rmeas	0.244	2.297
Rpim	0.121	1.158
Number of reflections	17068	1711
<I/σ(I)>	6.49	0.61
Completeness [%]	95.2	95.52
Redundancy	3.8	3.8
CC(1/2)	0.991	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	3.0 M Ammonium sulfate, 100 mM HEPES pH 7.0 cryoprotected with sodium malonate