8SJG

Zn-Bound Structure of Computationally Designed Homotrimer Tet4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.033
Spacegroup name	H 3
Unit cell lengths	67.663, 67.663, 109.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.830 - 2.390
R-factor	0.2446
Rwork	0.240
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.835
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.830	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.048	3.218
Rmeas	0.059	3.998
Rpim	0.033	2.313
Number of reflections	7372	736
<I/σ(I)>	7.7
Completeness [%]	99.7	98.93
Redundancy	2	2.2
CC(1/2)	1.000	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	30% PEG 400, 200 mM CaCl2, 100 mM Tris (pH 8.5)