4RDY

Crystal structure of VmoLac bound to 3-oxo-C10 AHL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Detector	PSI PILATUS 6M
Wavelength(s)	0.95373
Spacegroup name	P 64
Unit cell lengths	174.740, 174.740, 61.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.750 - 2.000
R-factor	0.14047
Rwork	0.139
R-free	0.17444
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.039
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.750
High resolution limit [Å]	2.000
Number of reflections	72593
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	VmoLac was concentrated at 20mg/mL, 100 mM Tris, pH 8.5, 1.5 M ammonium sulphate, 12 % v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K