3FGV

CRYSTAL STRUCTURE OF A PUTATIVE ANTIBIOTIC BIOSYNTHESIS MONOOXYGENASE (SPO2313) FROM SILICIBACTER POMEROYI DSS-3 AT 1.30 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97967
Spacegroup name	P 65
Unit cell lengths	78.760, 78.760, 69.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.118 - 1.300
R-factor	0.131
Rwork	0.130
R-free	0.15000
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.665
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.118	26.118	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.060	0.045	0.435
Number of reflections	60325	11954	12299
<I/σ(I)>	14.22	39.7	2.6
Completeness [%]	98.7	99.7	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	0.2000M NH4I, 20.0000% PEG-3350, No Buffer pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K