5C9I

Structure of N-acylhomoserine lactone acylase MacQ shortened spacer mutant (delta202-208) in uncleaved form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98000
Spacegroup name	P 1 21 1
Unit cell lengths	102.722, 137.769, 121.518
Unit cell angles	90.00, 111.45, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.16789
Rwork	0.166
R-free	0.20582
RMSD bond length	0.020
RMSD bond angle	1.884
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.792
Number of reflections	290370
<I/σ(I)>	12.8	2.4
Completeness [%]	100.0	99.9
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	6% Tacsimate pH 6.0, 14-16% PEG3350