4GL0

Putative spermidine/putrescine ABC transporter from Listeria monocytogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	56.330, 56.330, 182.493
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.100 - 1.920
R-factor	0.1564
Rwork	0.154
R-free	0.19370
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.718
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.100	50.000	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.099	0.082	0.860
Number of reflections	26657
<I/σ(I)>	13.9		2.09
Completeness [%]	99.9	98.7	100
Redundancy	8.4	7.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	289	0.2 M sodium chloride, 0.2 M phosphate buffer, 50% PEG-200, chymotrypsin, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K