3L6G

Crystal structure of lactococcal OpuAC in its open conformation

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	2008-10-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.872
Spacegroup name	P 41 21 2
Unit cell lengths	68.131, 68.131, 109.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.073 - 1.900
R-factor	0.169
Rwork	0.167
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b4l
RMSD bond length	0.017
RMSD bond angle	1.428
Data scaling software	XSCALE
Phasing software	PHASER (2.2.0)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.500		2.010
High resolution limit [Å]	1.900	5.660	1.900
Rmerge	0.099	0.034	0.542
Number of reflections	20918	884	3278
<I/σ(I)>	15.62	37.2	3.9
Completeness [%]	99.7	98.1	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M sodium iodide, 0.1 M Bis-Tris propane pH 8.5, 20% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K