3KKF

Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_810307.1) from Bacteriodes thetaiotaomicron VPI-5482 at 1.30 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-15
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	H 3 2
Unit cell lengths	70.740, 70.740, 96.021
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.185 - 1.300
R-factor	0.136
Rwork	0.135
R-free	0.16700
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.185	29.185	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.043	0.023	0.569
Number of reflections	22848	4396	4495
<I/σ(I)>	16.03	44.5	2
Completeness [%]	99.2	99.1	94.7
Redundancy	7.0562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2000M Ca(OAc)2, 40.0000% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K