3VB0

Crystal structure of 2,2',3-trihydroxybiphenyl 1,2-dioxygenase from dibenzofuran-degrading Sphingomonas wittichii strain RW1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-07-30
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	131.587, 131.587, 103.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.850 - 2.100
R-factor	0.25559
Rwork	0.254
R-free	0.28906
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Crystal structure of 2 3-dihydroxybiphenyl 1 2-dioxygenase from Rhodococcus globerulus strain P6
RMSD bond length	0.009
RMSD bond angle	1.064
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.850	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.094	0.499
Number of reflections	51572
<I/σ(I)>	14.6	2
Completeness [%]	98.1	91.1
Redundancy	7.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	1.4-2.0 M (NH4)2SO4, 2% PEG 400 and 0.1 M PIPES at pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K