4DZ1

Crystal structure of DalS, an ATP binding cassette transporter for D-alanine from Salmonella enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 61 2 2
Unit cell lengths	81.076, 81.076, 187.926
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.047 - 1.900
R-factor	0.1907
Rwork	0.190
R-free	0.20320
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	0.949
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.094	0.839
Number of reflections	28940
<I/σ(I)>	25	4.7
Completeness [%]	99.9	100
Redundancy	21	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	10% w/v PEG3000, 0.1 M sodium/potassium phosphate, pH 6.2, 5 mM glycine, VAPOR DIFFUSION, HANGING DROP, temperature 277K