3GZ7

Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_888398.1) from BORDETELLA BRONCHISEPTICA at 2.15 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97966,0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	103.692, 55.807, 40.658
Unit cell angles	90.00, 97.28, 90.00

Refinement procedure

Resolution	29.210 - 2.150
R-factor	0.177
Rwork	0.174
R-free	0.23600
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 (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.210	29.210	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.163	0.055	0.619
Total number of observations		423	2832
Number of reflections	12610
<I/σ(I)>	4.372	10.7	1.2
Completeness [%]	99.8	94.4	99.9
Redundancy	3.1	2.9	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.64	293	27.5000% polyethylene glycol 6000, 0.1M citric acid pH 4.64, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K