3L6H

Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.872
Spacegroup name	H 3 2
Unit cell lengths	111.706, 111.706, 151.728
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.780 - 2.300
R-factor	0.19843
Rwork	0.197
R-free	0.22137
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 3L6G
RMSD bond length	0.005
RMSD bond angle	0.898
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.000		2.330
High resolution limit [Å]	2.200	6.540	2.200
Rmerge	0.114	0.041	0.666
Number of reflections	16390
<I/σ(I)>	10.71	28.7	2.5
Completeness [%]	97.4	95.1	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2 M NaCl, 0.1 M Na-Hepes, pH 7.0, 20% PEG 6000, 1 mM glycine betaine, vapor diffusion, hanging drop, temperature 293K