3JUM

Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)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	2007-10-27
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	64.690, 64.690, 160.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.690 - 1.450
R-factor	0.14
Rwork	0.138
R-free	0.18500
RMSD bond length	0.027
RMSD bond angle	2.112
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.690	1.550
High resolution limit [Å]	1.450	1.450
Rmerge	0.059	0.377
Number of reflections	69627
<I/σ(I)>	19.94	3.7
Completeness [%]	99.6	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			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 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)benzoic acid, vapor diffusion, hanging drop, temperature 284K