6D91

Crystal structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter in the outward-open, apo conformation

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	2017-03-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	101.919, 75.508, 53.151
Unit cell angles	90.00, 98.07, 90.00

Refinement procedure

Resolution	38.136 - 2.356
R-factor	0.2492
Rwork	0.244
R-free	0.29890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6BU5
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.140	2.440
High resolution limit [Å]	2.356	2.360
Rmerge	0.185	0.383
Rmeas	0.203	0.519
Rpim	0.080	0.348
Number of reflections	10998	256
<I/σ(I)>	8.83	1.45
Completeness [%]	63.9	15.6
Redundancy	4.4	1.4
CC(1/2)	0.986	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	298	50 mM succinic acid, 20 mM spermidine, 100 mM MES, 26% PEG400