4G9E

Crystal structures of N-acyl homoserine lactonase AidH complexed with N-butanoyl homoserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	180
Detector technology	CCD
Collection date	2011-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	42.164, 129.523, 44.312
Unit cell angles	90.00, 111.00, 90.00

Refinement procedure

Resolution	21.290 - 1.088
R-factor	0.1285
Rwork	0.127
R-free	0.15170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g5x
RMSD bond length	0.005
RMSD bond angle	1.049
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.290	1.120
High resolution limit [Å]	1.088	1.090
Number of reflections	179801
Completeness [%]	52.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25% PEG8000, 0.2M ammonium acetate, 0.01M magnesium acetate, 0.05M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K