3H50

CRYSTAL STRUCTURE OF A TETRACENOMYCIN POLYKETIDE SYNTHESIS PROTEIN (TCMJ) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 1.60 A RESOLUTION

Replaces:  2ILB

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	CCD
Collection date	2006-08-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918370,0.979616,0.979305
Spacegroup name	C 1 2 1
Unit cell lengths	48.920, 72.030, 32.750
Unit cell angles	90.00, 110.76, 90.00

Refinement procedure

Resolution	28.502 - 1.600
R-factor	0.184
Rwork	0.182
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.418
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]	28.502	28.502	1.650
High resolution limit [Å]	1.600	3.420	1.590
Rmerge	0.105	0.034	0.610
Number of reflections	13913	2813	2430
<I/σ(I)>	9.99	29.8	1.9
Completeness [%]	96.8	98.4	80.3
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	35.0% 2-propanol, 0.2M Zn(OAc)2, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K