3EBY

Crystal structure of the beta subunit of a putative aromatic-ring-hydroxylating dioxygenase (YP_001165631.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.75 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929,0.97915
Spacegroup name	H 3 2
Unit cell lengths	80.290, 80.290, 145.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.764 - 1.750
R-factor	0.17
Rwork	0.168
R-free	0.20500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.764	26.764	1.810
High resolution limit [Å]	1.750	3.760	1.750
Rmerge	0.060	0.025	0.577
Number of reflections	18394	3517	3316
<I/σ(I)>	12.89	36.3	1.9
Completeness [%]	99.2	99	97.1
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	0.2000M KCl, 20.0000% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K