9WFI

A chimera FadR transcription factor containing wHTH of Rv0494 and the part other than wHTH of Escherichia coli FadR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.678, 66.136, 122.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.640 - 1.750
R-factor	0.2134
Rwork	0.212
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.787
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.640	1.813
High resolution limit [Å]	1.750	1.750
Number of reflections	46377	4673
<I/σ(I)>	2.11
Completeness [%]	97.9
Redundancy	6.1
CC(1/2)	0.997	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	0.2 M Ammonium sulfate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350