8TLP

Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633_8x without 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	2020-02-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	54.379, 55.025, 146.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.000
R-factor	0.2361
Rwork	0.233
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.807
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.059	0.030	1.546
Rmeas	0.061	0.032	1.677
Rpim	0.017	0.009	0.626
Total number of observations	360545
Number of reflections	30532	3284	2909
<I/σ(I)>	5
Completeness [%]	99.8	100	97.5
Redundancy	11.8	12.1	6.4
CC(1/2)	0.998	1.000	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2M ammonium sulfate, 5% 2-Propanol