4G8B

Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone

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)	0.89
Spacegroup name	P 1 21 1
Unit cell lengths	42.385, 130.075, 44.254
Unit cell angles	90.00, 110.68, 90.00

Refinement procedure

Resolution	27.510 - 1.302
R-factor	0.1237
Rwork	0.122
R-free	0.15860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g5x
RMSD bond length	0.005
RMSD bond angle	1.078
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]	27.510	1.330
High resolution limit [Å]	1.302	1.302
Number of reflections	108060
Completeness [%]	50.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	30% PEG8000, 0.2M LiAc, 0.1M NaAc, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K