3NCY

X-ray crystal structure of an arginine agmatine antiporter (AdiC) in complex with a Fab fragment

Replaces:  3HQK

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	78
Detector technology	CCD
Collection date	2008-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	P 1
Unit cell lengths	79.661, 104.149, 154.025
Unit cell angles	81.96, 75.93, 73.73

Refinement procedure

Resolution	33.227 - 3.200
R-factor	0.2831
Rwork	0.282
R-free	0.31180
RMSD bond length	0.003
RMSD bond angle	0.883
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.040
High resolution limit [Å]	2.990	8.110	2.990
Rmerge	0.086	0.046
Number of reflections	90050
<I/σ(I)>	11.4
Completeness [%]	98.2	90.8	94.1
Redundancy	3.7	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30-35% PEG 400, 100-200mM CaCl2, 100mM Glycine pH 9-9.5, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	30-35% PEG 400, 100-200mM CaCl2, 100mM Glycine pH 9-9.5, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	30-35% PEG 400, 100-200mM CaCl2, 100mM Glycine pH 9-9.5, vapor diffusion, hanging drop, temperature 293K