6WNS

The structure of a CoA-dependent acyl-homoserine lactone synthase, MesI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	CCD
Collection date	2017-04-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 43 21 2
Unit cell lengths	65.673, 65.673, 113.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.800 - 1.930
Rwork	0.215
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w8e
RMSD bond length	0.018
RMSD bond angle	1.989
Data reduction software	HKL-2000 (1.0)
Data scaling software	XDS (1.0)
Phasing software	PHASER (1.0)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.800	1.930
High resolution limit [Å]	1.930	1.930
Number of reflections	19634	1329
<I/σ(I)>	37.9
Completeness [%]	99.8
Redundancy	20
CC(1/2)	1.000	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282	0.1 M sodium cacodylate, pH 6.5, 40% v/v MPD, 5% w/v PEG8000