8E6I

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter M230A mutant in an inward-open, manganese-bound 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	2020-09-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 2 21 21
Unit cell lengths	58.673, 71.350, 98.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.320 - 2.520
R-factor	0.2289
Rwork	0.225
R-free	0.26560
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]	45.320	45.320	2.620
High resolution limit [Å]	2.520	9.090	2.520
Rmerge	0.269	0.041	3.186
Rmeas	0.284	0.044	3.353
Rpim	0.090	0.015	1.035
Total number of observations	144823	3234	16773
Number of reflections	14581	365	1613
<I/σ(I)>	7.3	34.2	0.8
Completeness [%]	100.0	99.4	99.9
Redundancy	9.9	8.9	10.4
CC(1/2)	0.997	0.999	0.391

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	298	32% PEG400 , 0.1 M MES, pH 6.5, 50 mM succinic acid, pH 6.0, 20 mM spermidine, pH 7.0, 10 mM manganese chloride