4F3S

Crystal structure of periplasmic D-alanine ABC transporter from Salmonella enterica

Replaces:  3R39

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 61 2 2
Unit cell lengths	80.406, 80.406, 187.041
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.450 - 2.140
R-factor	0.19097
Rwork	0.189
R-free	0.22099
Structure solution method	SAD
RMSD bond length	0.025
RMSD bond angle	1.844
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.140	2.140
Rmerge	0.060	0.380
Number of reflections	20516
<I/σ(I)>	11.2	5
Completeness [%]	99.7	97.3
Redundancy	41	37.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.8M Ammonium citrate tribasic pH 7, 10% Jeffamine M600 pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K