3B4P

Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, complex with 2-(cyclohexylamino)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	2007-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9789
Spacegroup name	P 32 2 1
Unit cell lengths	64.550, 64.550, 160.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.650 - 1.700
R-factor	0.17169
Rwork	0.170
R-free	0.21406
Structure solution method	SAD
RMSD bond length	0.026
RMSD bond angle	2.080
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.650	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.047	0.313
Number of reflections	43465
<I/σ(I)>	24.2	4.2
Completeness [%]	99.9	100
Redundancy	14.1	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	16-20% (w/v) PEG 3350, 0.2 M NH4-acetate, 0.1 M Bis-TRIS pH 6.1-6.7, soak with 10 mM 2-(cyclohexylamino)benzoic acid in ML, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 285K