5J4N

Crystal structure of the L-arginine/agmatine antiporter AdiC in complex with agmatine at 2.6 Angstroem resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	104.765, 175.635, 72.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.440 - 2.594
R-factor	0.2224
Rwork	0.221
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j4i
RMSD bond length	0.007
RMSD bond angle	0.922
Data reduction software	XDS ((VERSION Jun 17, 2015))
Data scaling software	XSCALE ((VERSION Jun 17, 2015))
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.440	2.730
High resolution limit [Å]	2.594	2.594
Rmerge	0.011	1.170
Number of reflections	41837
<I/σ(I)>	12	1.6
Completeness [%]	98.7	94.9
Redundancy	6.7	6.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	PEG 400; NaCl