6R9N

Peroxy diiron species of chemotaxis sensor ODP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	44.675, 85.451, 118.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.730 - 2.074
Rwork	0.191
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.730	2.148
High resolution limit [Å]	2.074	2.074
Rmerge	0.051	0.620
Rmeas	0.073
Number of reflections	27969	2448
<I/σ(I)>	12.14
Completeness [%]	98.6	87.12
Redundancy	4.6
CC(1/2)	0.997	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	20% Polyethyleneglycol 3500