6C3I

Crystal structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter G45R mutant in an inward occluded 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	2016-07-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	70.727, 97.850, 118.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.619 - 2.950
R-factor	0.244270636381
Rwork	0.243
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kte
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	2.950	3.000
Rmerge	0.233	1.388
Rmeas	0.270	1.608
Rpim	0.133	0.795
Number of reflections	17206	842
<I/σ(I)>	6.4	0.95
Completeness [%]	98.5	98.8
Redundancy	3.9	4
CC(1/2)		0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	298	20% PEG550 MME, 150 mM sodium chloride, 100 mM HEPES, pH 7.0