3JUO

Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97886
Spacegroup name	P 32 2 1
Unit cell lengths	64.600, 64.600, 160.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.670 - 2.200
R-factor	0.182
Rwork	0.180
R-free	0.22300
RMSD bond length	0.023
RMSD bond angle	1.808
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.670		2.300
High resolution limit [Å]	2.200	20.000	2.200
Rmerge	0.055		0.547
Number of reflections	20466		2523
<I/σ(I)>	26.25		4.8
Completeness [%]	99.7		100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		284	16-20% (w/v) PEG3350, 0.2 M NH4OAc, 0.1 M Bis-Tris pH 6.1-6.7; complex prepared by overnight soaking in mother liquor containing 5 mM (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid, vapor diffusion, hanging drop, temperature 284K