8BT1

YdaT transcription regulator (CII functional analog)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	45.570, 64.256, 63.910
Unit cell angles	66.83, 89.36, 77.67

Refinement procedure

Resolution	44.373 - 2.398
R-factor	0.213955987448
Rwork	0.211
R-free	0.26582
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.959
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.373	2.520
High resolution limit [Å]	2.390	2.400
Rmerge	0.082	0.386
Rmeas	0.106	0.552
Number of reflections	19698	993
<I/σ(I)>	6
Completeness [%]	77.4
Redundancy	2.3325
CC(1/2)	0.990	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 ul 13.23 mg/ml YdaT (in 20mM Tris and 200mM NaCl, pH 7.5) mixed with 0.1 ul reservoir solution (0.1M BIS - TRIS pH 5.5, 2.0 M Ammonium sulphate) and equilibrated against 70 ul of reservoir solution