9I1X

Crystal structure of the E. coli TetR family regulator CecR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976264
Spacegroup name	P 21 21 21
Unit cell lengths	61.960, 95.010, 110.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.660 - 1.910
R-factor	0.1766
Rwork	0.175
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.660	2.020
High resolution limit [Å]	1.910	1.910
Number of reflections	51101	8127
<I/σ(I)>	11.24
Completeness [%]	99.6
Redundancy	13.57
CC(1/2)	0.998	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.15 M magnesium chloride, 0.05 M sodium acetate, 0.1 M Bis-Tris pH 6.5, 25% (v/v) PEG 3350