4G8C

Crystal structures of N-acyl homoserine lactonase AidH E219G mutant complexed with N-hexanoyl 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 1
Wavelength(s)	0.89
Spacegroup name	P 1 21 1
Unit cell lengths	42.417, 129.605, 44.834
Unit cell angles	90.00, 111.19, 90.00

Refinement procedure

Resolution	19.892 - 1.110
R-factor	0.1359
Rwork	0.135
R-free	0.15830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g5x
RMSD bond length	0.005
RMSD bond angle	1.090
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]	20.000	1.130
High resolution limit [Å]	1.110	1.110
Number of reflections	186917
Completeness [%]	51.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	35% PEG8000, 0.2M LiAc, 0.1M NaAc, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K