4LGQ

Crystal structure of a putative polyketide cyclase (CV_0247) from Chromobacterium violaceum ATCC 12472 at 2.72 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	PIXEL
Collection date	2013-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97872,0.97818
Spacegroup name	P 21 21 21
Unit cell lengths	66.100, 98.076, 104.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.038 - 2.720
R-factor	0.1802
Rwork	0.178
R-free	0.21920
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.038	49.038	2.820
High resolution limit [Å]	2.720	5.820	2.720
Rmerge	0.075	0.033	0.739
Number of reflections	18389	1927	1886
<I/σ(I)>	12.28	29	1.6
Completeness [%]	96.7	92.1	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.77	277	0.300M sodium chloride, 22.00% polyethylene glycol 8000, 0.1M CAPS pH 10.77, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K