7RKC

Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-09-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	P 1 21 1
Unit cell lengths	54.445, 54.682, 86.987
Unit cell angles	90.00, 95.47, 90.00

Refinement procedure

Resolution	48.050 - 2.350
R-factor	0.2734
Rwork	0.269
R-free	0.31190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	computationally generated
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.320	6.370	2.350
Rmerge	0.078	0.035	1.029
Rmeas	0.092	0.040	1.184
Rpim	0.047	0.020	0.581
Number of reflections	21194	1133	1110
<I/σ(I)>	9
Completeness [%]	96.7	98	100
Redundancy	4	4	4.1
CC(1/2)		0.997	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	294.15	0.2 M Zinc acetate, 0.1 M Na acetate pH 4.5, 10% PEG 3000