3F8H

Crystal structure of a putative polyketide cyclase (tm1040_3560) from silicibacter sp. tm1040 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97967,0.94645
Spacegroup name	P 43 21 2
Unit cell lengths	63.310, 63.310, 196.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.501 - 2.000
R-factor	0.169
Rwork	0.167
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.679
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.501	29.501	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.169	0.010	0.010
Number of reflections	28101	5202	4849
<I/σ(I)>	7.58	17	1.9
Completeness [%]	99.4	99.4	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.0200M CaCl2, 30.0000% MPD, 0.1M Acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K