8E5S

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded 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	2018-11-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.984
Spacegroup name	P 2 21 21
Unit cell lengths	58.658, 70.850, 98.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.060 - 2.380
R-factor	0.2107
Rwork	0.206
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c3i
Data reduction software	XDS (1.20.1_4487)
Data scaling software	Aimless (1.20.1_4487)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.060	41.060	2.470
High resolution limit [Å]	2.380	8.910	2.380
Rmerge	0.192	0.064	1.238
Rmeas	0.218	0.072	1.416
Rpim	0.099	0.031	0.663
Total number of observations	71063	1405	7304
Number of reflections	15678	318	1666
<I/σ(I)>	7.4	21.7	1.8
Completeness [%]	93.4	87.5	95.9
Redundancy	4.5	4.4	4.4
CC(1/2)	0.987	0.996	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.7	298	28% PEG400, 0.1 M MES, pH 6.7, 50 mM succinic acid, pH 6.0, 5 mM spermidine, pH 7.0