8SJF

Apo Structure of Computationally Designed Homotrimer Tet4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	H 3
Unit cell lengths	73.030, 73.030, 55.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.510 - 2.300
R-factor	0.2317
Rwork	0.230
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.510	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.812
Rmeas	0.069	0.943
Rpim	0.030	0.467
Number of reflections	4826	408
<I/σ(I)>	15.24	1.84
Completeness [%]	98.0	85.56
Redundancy	5	4
CC(1/2)	0.998	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	30% PEG 400, 200 mM NH4OAc, 100 mM HEPES (pH 7.5)