8E6H

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter A47W mutant in an occluded, manganese-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	2018-06-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.984
Spacegroup name	P 2 21 21
Unit cell lengths	58.980, 70.929, 98.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 2.390
R-factor	0.2101
Rwork	0.206
R-free	0.24640
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]	45.350	45.350	2.480
High resolution limit [Å]	2.390	8.940	2.390
Rmerge	0.163	0.023	1.396
Rmeas	0.191	0.028	1.621
Rpim	0.097	0.015	0.811
Total number of observations	60857	1132	6584
Number of reflections	16773	356	1745
<I/σ(I)>	7.1	31.7	1
Completeness [%]	99.0	94.7	99.7
Redundancy	3.6	3.2	3.8
CC(1/2)	0.994	0.999	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.2	298	20% PEG550 MME, 0.1 M HEPES, pH 7.2, 0.25 M sodium chloride, 10 mM manganese chloride