9NKQ

Coevolved affibody pair A6B6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 2.0.1
Synchrotron site	ALS
Beamline	2.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.031
Spacegroup name	P 21 21 21
Unit cell lengths	44.393, 44.653, 92.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.020 - 1.430
R-factor	0.1885
Rwork	0.187
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.798
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.020	1.470
High resolution limit [Å]	1.430	1.430
Rmerge	0.105	3.300
Rmeas	0.111	3.470
Rpim	0.035	1.090
Number of reflections	34744	2416
<I/σ(I)>	8.37	61
Completeness [%]	100.0	99.75
Redundancy	10.3	10
CC(1/2)	0.997	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	0.01 M CoCl2, 0.1 M MES pH 6.5, 1.8 M (NH4)2SO4