8DA9

Coevolved affibody-Z domain pair LL2.c3

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)	0.88557
Spacegroup name	C 1 2 1
Unit cell lengths	53.403, 54.259, 68.601
Unit cell angles	90.00, 94.41, 90.00

Refinement procedure

Resolution	38.000 - 1.350
R-factor	0.1763
Rwork	0.175
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.014
RMSD bond angle	1.313
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.398
High resolution limit [Å]	1.350	1.350
Rmerge	0.113	3.679
Rmeas	0.122	3.989
Rpim	0.047	1.522
Number of reflections	41323	4054
<I/σ(I)>	8.93	0.76
Completeness [%]	95.8	93.56
Redundancy	6.8	93.56
CC(1/2)	0.997	0.172

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2.4 M Ammonium sulfate 0.1M HEPES pH 7.0 Cryoprotected with 30% glycerol