3JUQ

Crystal Structure of PhzA/B from Burkholderia cepacia R18194 cocrystallized with 2 mM racemic 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	2007-10-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98407
Spacegroup name	P 32 2 1
Unit cell lengths	64.401, 64.401, 160.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.610 - 1.750
R-factor	0.174
Rwork	0.172
R-free	0.21400
RMSD bond length	0.025
RMSD bond angle	1.931
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.610		1.850
High resolution limit [Å]	1.750	50.000	1.750
Rmerge	0.109	0.030	0.030
Number of reflections	75067		11517
<I/σ(I)>	21.37		3.3
Completeness [%]	99.9		100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	284	28% (w/v) PEG3350, 0.2 M NH4OAc, 0.1 M Bis-Tris pH 6.1-6.7; complex prepared by cocrystallization with 2 mM racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid, vapor diffusion, hanging drop, temperature 284K