3CNM

Crystal Structure of Phenazine Biosynthesis Protein PhzA/B from Burkholderia cepacia R18194, DHHA complex

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	2008-03-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9809
Spacegroup name	P 32 2 1
Unit cell lengths	65.090, 65.090, 161.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.810 - 1.650
R-factor	0.15662
Rwork	0.155
R-free	0.19390
Structure solution method	rigid body refinement of apo structure
Starting model (for MR)	3b4o
RMSD bond length	0.031
RMSD bond angle	2.319
Data reduction software	MOSFLM
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.066	0.420
Number of reflections	48675
<I/σ(I)>	16	3.7
Completeness [%]	100.0	100
Redundancy	14.1	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	285	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 50 mM DHHA, VAPOR DIFFUSION, HANGING DROP, temperature 285K