3E8O

CRYSTAL STRUCTURE OF A PUTATIVE ANTIBIOTIC BIOSYNTHESIS MONOOXYGENASE (DR_2100) FROM DEINOCOCCUS RADIODURANS AT 1.40 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	2008-08-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97916,0.97849
Spacegroup name	P 1 21 1
Unit cell lengths	33.715, 59.639, 47.511
Unit cell angles	90.00, 97.18, 90.00

Refinement procedure

Resolution	29.814 - 1.400
R-factor	0.13
Rwork	0.128
R-free	0.16300
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.626
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.814
High resolution limit [Å]	1.400
Rmerge	0.050
Number of reflections	35346
<I/σ(I)>	9.2
Completeness [%]	96.3
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2000M NaOAc, 30.0000% PEG-8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP