3LAY

Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	100.795, 148.910, 74.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.22486
Rwork	0.223
R-free	0.26720
Structure solution method	MOLECULAR REPLACMENT
RMSD bond length	0.018
RMSD bond angle	1.622
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	REFMAC (5.5.0051)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.330	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.070	0.480
Number of reflections	31571
<I/σ(I)>	40.9	3.9
Completeness [%]	99.9	100
Redundancy	7.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.2 M Sodium chloride, 0.1 M Bis-tris, 25 % (w/v) PEG 3350, 0.2 mM Zn acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K