9NKP

Coevolved affibody pair A5B5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9774
Spacegroup name	P 43 3 2
Unit cell lengths	100.469, 100.469, 100.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.930 - 2.850
R-factor	0.2362
Rwork	0.233
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.578
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]	44.930	3.260
High resolution limit [Å]	2.850	2.850
Rmerge	0.284	6.791
Rmeas	0.284	6.800
Rpim	0.016	0.388
Number of reflections	4411	1420
<I/σ(I)>	33.4	1.89
Completeness [%]	99.9	99.9
Redundancy	293	303
CC(1/2)	1.000	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	295	0.15 M DL-Malic acid pH 7.0, 20% PEG 3350