7TRW

Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97930
Spacegroup name	P 62
Unit cell lengths	86.073, 86.073, 69.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.270 - 2.280
R-factor	0.1997
Rwork	0.198
R-free	0.23410
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.591
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.280	2.280
Rmerge	0.197	1.366
Rmeas	0.203	1.540
Rpim	0.048	0.670
Number of reflections	13379	655
<I/σ(I)>	21.9	0.91
Completeness [%]	99.9	99.8
Redundancy	16.4	4.6
CC(1/2)	1.000	0.388

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	1.03 M Sodium/Potassium Phosphate, pH 5.0, 150 mM Malate, 3.0 % v/v PEG 300