7C7E

Crystal structure of C terminal domain of Escherichia coli DgoR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	85.037, 85.037, 111.688
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.010 - 2.047
R-factor	0.227
Rwork	0.226
R-free	0.24400
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.650	73.650	2.100
High resolution limit [Å]	2.040	9.170	2.050
Rmerge	0.091	0.047	1.243
Rmeas	0.093	0.048	1.278
Rpim	0.015	0.009	0.295
Total number of observations		5588	20873
Number of reflections	15623	236	1132
<I/σ(I)>	34.6	77.7	2.4
Completeness [%]	100.0	99.9	100
Redundancy	20	23.7	18.4
CC(1/2)	1.000	1.000	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	5% PEG 400, 100mM Sodium acetate pH 5.5, 2M Lithium sulfate, 100mM Magnesium sulfate