9NKR

Coevolved affibody pair A7B7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	.9202
Spacegroup name	P 21 21 21
Unit cell lengths	38.230, 64.883, 79.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.800 - 1.500
R-factor	0.1733
Rwork	0.172
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.226
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.800	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.079	1.520
Rmeas	0.088	1.680
Rpim	0.037	0.707
Number of reflections	32306	2642
<I/σ(I)>	10.2	0.59
Completeness [%]	100.0	99.96
Redundancy	5.4	5.6
CC(1/2)	0.999	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.1	295	0.1 M bis-tris pH 6.1, 2.1 M (NH4)2SO4