7DMS

A Fe(II)-binding effector of Yersinia pseudotuberculosis

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	2018-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	29.904, 47.465, 67.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.543 - 1.960
R-factor	0.2057
Rwork	0.203
R-free	0.26690
Structure solution method	SAD
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.820	2.070
High resolution limit [Å]	1.960	1.960
Number of reflections	42737	6564
<I/σ(I)>	13.3
Completeness [%]	97.1
Redundancy	6
CC(1/2)	0.975	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5	289.15	0.1M sodium malonate pH 5.0, 12% w/v polyethylene glycol 3350