8E5V

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WTsoak in an occluded state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 2 21 21
Unit cell lengths	58.954, 71.037, 98.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.230 - 2.360
R-factor	0.2198
Rwork	0.217
R-free	0.24580
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]	41.230	41.230	2.450
High resolution limit [Å]	2.360	8.830	2.360
Rmerge	0.107	0.024	1.328
Rmeas	0.128	0.029	1.581
Rpim	0.069	0.016	0.846
Total number of observations	57927	1173	6205
Number of reflections	17464	378	1813
<I/σ(I)>	5.8	25.3	0.7
Completeness [%]	99.2	96.9	99.5
Redundancy	3.3	3.1	3.4
CC(1/2)	0.997	0.998	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.3	298	28% PEG400, 0.1 M MES, pH 6.3, 50 mM succinic acid, pH 6.0, 5 mM spermidine, pH 7.0