8TM9

Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633_8x bound to 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 1 21 1
Unit cell lengths	54.717, 54.562, 80.478
Unit cell angles	90.00, 96.11, 90.00

Refinement procedure

Resolution	47.400 - 2.050
R-factor	0.2122
Rwork	0.210
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.477
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (1.20)
Refinement software	PHENIX ((1.20rc1_4392: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.074	0.047	0.420
Rmeas	0.081	0.051	0.467
Rpim	0.031	0.020	0.199
Total number of observations	185861
Number of reflections	29565	1563	1449
<I/σ(I)>	5.3
Completeness [%]	99.6	100	97.6
Redundancy	6.3	6.6	4.8
CC(1/2)	0.995	0.999	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.6M ammonium sulfate, 4% 2-Propanol