8Z6D

Structure of transcriptional regulator TetR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	51.170, 69.360, 112.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.570 - 2.100
R-factor	0.2065
Rwork	0.202
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	0.793
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.570	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.074
Rmeas	0.081
Number of reflections	23865	2366
<I/σ(I)>	16.61	1.39
Completeness [%]	99.9
Redundancy	6.3
CC(1/2)	0.999	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium acetate, BIS-TRIS pH 5.5, PEG 3350