3K0Z

Crystal structure of Putative polyketide cyclase (NP_977253.1) from BACILLUS CEREUS ATCC 10987 at 1.91 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	2009-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97932,0.97918,0.91837
Spacegroup name	P 21 21 21
Unit cell lengths	37.829, 77.414, 109.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.843 - 1.910
R-factor	0.173
Rwork	0.170
R-free	0.21900
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.843	28.843	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.075	0.027	0.453
Number of reflections	25195	4658	3929
<I/σ(I)>	8.98	25.8	1.7
Completeness [%]	96.3	95.6	79.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	30.0000% PEG-3000, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K