2A7M

1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.8265
Spacegroup name	P 21 21 21
Unit cell lengths	54.600, 55.551, 80.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.640 - 1.600
R-factor	0.17171
Rwork	0.170
R-free	0.21068
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.305
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.686
High resolution limit [Å]	1.600	1.600
Rmerge	0.055	0.870
Number of reflections	32757
<I/σ(I)>	36.8	2.4
Completeness [%]	99.7	80.49
Redundancy	7.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	glycerol, tris-hcl, peg4000, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	glycerol, tris-hcl, peg4000, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K