3N0Q

Crystal structure of a Putative aromatic-ring hydroxylating dioxygenase (TM1040_3219) from SILICIBACTER SP. TM1040 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97949,0.97895
Spacegroup name	P 63
Unit cell lengths	97.533, 97.533, 96.522
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.155 - 1.800
R-factor	0.156
Rwork	0.154
R-free	0.18600
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.475
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.6.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.155	28.155	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.060	0.024	0.577
Number of reflections	48265	9582	8783
<I/σ(I)>	14.33	40.4	2.16
Completeness [%]	99.3	99.5	98.9
Redundancy	6.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.29	277	23.8000% polyethylene glycol monomethyl ether 2000, 0.0100M nickel (II) chloride, 0.1M TRIS pH 8.29, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K