6CSF

Crystal structure of sodium/alanine symporter AgcS with D-alanine bound

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]	93
Detector technology	PIXEL
Collection date	2016-11-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 61
Unit cell lengths	183.051, 183.051, 349.843
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	158.527 - 3.300
R-factor	0.2403
Rwork	0.240
R-free	0.25330
RMSD bond length	0.004
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	158.530	3.360
High resolution limit [Å]	3.300	3.300
Rpim	0.099	0.766
Number of reflections	99301	4881
<I/σ(I)>	6.9	0.8
Completeness [%]	99.9	100
Redundancy	7.8	8.3
CC(1/2)	0.997	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.5M Ammonium Sulfate, 100mM Sodium Citrate pH 5.0-5.5