8VX7

Computationally designed tunable C2 symmetric tandem repeat homodimer, bound to cyclic peptide

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	2022-04-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	33.434, 79.802, 105.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.130 - 2.750
R-factor	0.2575
Rwork	0.253
R-free	0.29880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.397
Data scaling software	HKL-2000
Phasing software	PHASER (1.20)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.750	5.920	2.750
Rmerge	0.113	0.088	0.497
Rmeas	0.119	0.093	0.525
Rpim	0.035	0.029	0.163
Number of reflections	7827	879	742
<I/σ(I)>	6.9
Completeness [%]	99.4	99.9	95.4
Redundancy	11.6	11.2	9.2
CC(1/2)	1.000	0.996	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	8% PEG 4000, 0.1 M Sodium Acetate