8E60

X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded, 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	2021-04-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033
Spacegroup name	P 2 21 21
Unit cell lengths	59.076, 71.101, 98.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.280 - 2.380
R-factor	0.2128
Rwork	0.208
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e5v
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]	41.280	41.280	2.470
High resolution limit [Å]	2.380	8.910	2.380
Rmerge	0.109	0.023	1.292
Rmeas	0.127	0.028	1.511
Rpim	0.064	0.015	0.759
Total number of observations	56770	1133	6008
Number of reflections	16467	340	1731
<I/σ(I)>	8	36.3	0.9
Completeness [%]	96.0	90.9	98
Redundancy	3.4	3.3	3.5
CC(1/2)	0.997	0.999	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	298	24% PEG400, 0.1 M MES, pH 5.9, 50 mM succinic acid, pH 6.0, 5 mM spermidine, pH 7.0