6N8B

Crystal structure of transcription regulator AcaB from uropathogenic E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	I 21 3
Unit cell lengths	167.188, 167.188, 167.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.680 - 2.940
R-factor	0.229569350883
Rwork	0.228
R-free	0.25785
RMSD bond length	0.005
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.680	3.050
High resolution limit [Å]	2.940	2.940
Number of reflections	16642
<I/σ(I)>	19.33
Completeness [%]	100.0
Redundancy	22.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris, pH 8.0, 23% (w/v) PEG 350 monomethyl ether, in the presence of alpha-chymotrypsin