3MCS

Crystal structure of Putative monooxygenase (FN1347) from FUSOBACTERIUM NUCLEATUM SUBSP. NUCLEATUM ATCC 25586 at 2.55 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	2009-12-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97894
Spacegroup name	P 1 21 1
Unit cell lengths	51.851, 66.243, 66.763
Unit cell angles	90.00, 98.41, 90.00

Refinement procedure

Resolution	29.607 - 2.550
R-factor	0.217
Rwork	0.212
R-free	0.26100
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.405
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.607	29.607	2.640
High resolution limit [Å]	2.550	5.460	2.550
Rmerge	0.078	0.028	0.654
Number of reflections	14638	2875	2693
<I/σ(I)>	9	22	1.3
Completeness [%]	97.9	97.7	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.2000M NH4OAc, 30.0000% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K