8DAB

Coevolved affibody-Z domain pair LL2.c17

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)	0.77488
Spacegroup name	C 1 2 1
Unit cell lengths	77.091, 35.532, 49.433
Unit cell angles	90.00, 115.42, 90.00

Refinement procedure

Resolution	31.650 - 1.134
R-factor	0.1738
Rwork	0.172
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5djt
RMSD bond length	0.007
RMSD bond angle	0.828
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.650	1.175
High resolution limit [Å]	1.134	1.134
Rmerge	0.092	4.141
Rmeas	0.097	4.383
Rpim	0.030	1.415
Number of reflections	27318	140
<I/σ(I)>	15.86	1.21
Completeness [%]	60.8	3.1
Redundancy	9.8	9.4
CC(1/2)	0.999	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	295	2.3 M Amm2HPO4, 100 mM Tris pH 8.2 cryoprotected in 30% glycerol