3GZB

Crystal structure of putative SnoaL-like polyketide cyclase (YP_001182657.1) from Shewanella putrefaciens CN-32 at 1.44 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837
Spacegroup name	P 1 21 1
Unit cell lengths	90.240, 89.940, 94.320
Unit cell angles	90.00, 89.94, 90.00

Refinement procedure

Resolution	47.140 - 1.440
R-factor	0.152
Rwork	0.151
R-free	0.17400
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.608
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]	47.140	47.140	1.520
High resolution limit [Å]	1.440	3.160	1.440
Rmerge	0.063	0.047	0.499
Number of reflections	269676	25464	40155
<I/σ(I)>		28.1	2
Completeness [%]	99.2	97.6	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.64	293	NANODROP, 17.70% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 6.64, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.64	293	NANODROP, 17.70% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 6.64, VAPOR DIFFUSION, SITTING DROP, temperature 293K