8E6M

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an inward-open, cadmium-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	59.137, 71.369, 99.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.540 - 2.480
R-factor	0.2077
Rwork	0.203
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e5s
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.540	45.540	2.580
High resolution limit [Å]	2.480	8.940	2.480
Rmerge	0.164	0.028	1.626
Rmeas	0.184	0.032	1.831
Rpim	0.083	0.014	0.823
Total number of observations	74940	1570	8196
Number of reflections	15312	365	1697
<I/σ(I)>	8.1	31.4	1.1
Completeness [%]	99.4	96.1	99.7
Redundancy	4.9	4.3	4.8
CC(1/2)	0.996	0.999	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.1	298	24% PEG400, 0.1 M MES, pH 6.1, 50 mM succinic acid, pH 6.0, 20 mM spermidine, pH 7.0