6ON4

Crystal structure of the GntR-type sialoregulator NanR from Escherichia coli, in complex with sialic acid

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	2018-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	39.771, 87.846, 73.869
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	43.920 - 2.100
R-factor	0.1834
Rwork	0.181
R-free	0.22950
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.920	43.920	2.160
High resolution limit [Å]	2.100	8.900	2.100
Rmerge	0.045	0.023	0.547
Rmeas	0.053	0.027	0.676
Rpim	0.028	0.014	0.391
Total number of observations	96712	1384	5260
Number of reflections	28505	402	2024
<I/σ(I)>	13.6	40.2	1.8
Completeness [%]	98.2	98.8	86.6
Redundancy	3.4	3.4	2.6
CC(1/2)	0.999	0.999	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	280	0.2 M Sodium acetate trihydrate, 0.1 M Sodium HEPES, 25 % (w/v) PEG 3350