8T0J

Salmonella Typhimurium ArnD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 2 2 2
Unit cell lengths	82.551, 85.646, 111.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.740 - 2.590
R-factor	0.2284
Rwork	0.225
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.740	2.683
High resolution limit [Å]	2.590	2.590
Rmerge	0.082	0.234
Rmeas	0.101	0.292
Rpim	0.059	0.172
Number of reflections	11633	861
<I/σ(I)>	12.82	3.99
Completeness [%]	91.4	70.43
Redundancy	2.7	2.5
CC(1/2)	0.995	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	Crystals of ArnD were obtained by mixing 2 uL of a stock solution of ArnD (6 mg/mL) in 25mM Tris-HCl, pH8.0, 150mM NaCl, 10% glycerol, 5mM BME, 0.0174% DDM, with 2 uL of a precipitant solution containing 0.1M Na citrate pH 6.2, 10% isopropanol and 17% PEG4000 and allowing vapor diffusion between the protein droplet and a 1mL reservoir of precipitant in a hanging drop set up incubated at 16 degrees Celsius.