8E6L

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter D296A 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	58.514, 71.640, 98.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.320 - 3.120
R-factor	0.2264
Rwork	0.219
R-free	0.27250
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	3.330
High resolution limit [Å]	3.110	8.810	3.110
Rmerge	0.342	0.050	1.817
Rmeas	0.386	0.057	2.035
Rpim	0.173	0.026	0.893
Total number of observations	27288	1222	5048
Number of reflections	7042	323	1248
<I/σ(I)>	5.7	19.9	1.6
Completeness [%]	91.7	86.5	92.2
Redundancy	3.9	3.8	4
CC(1/2)	0.977	0.997	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.8	298	28% PEG400, 0.1 M HEPES, pH 6.8, 0.1 M sodium chloride, 10 mM manganese chloride