8Z6E

Structure of transcriptional regulator TetR

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	2023-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	48.999, 47.760, 80.451
Unit cell angles	90.00, 98.57, 90.00

Refinement procedure

Resolution	34.010 - 1.970
R-factor	0.2043
Rwork	0.200
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	0.976
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]	34.010	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.078
Rmeas	0.087
Number of reflections	25972	2597
<I/σ(I)>	13.36
Completeness [%]	98.2
Redundancy	5.4
CC(1/2)	0.998	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Potassium citrate tribasic monohydrate, PEG 3350