3F5H

Crystal structure of fused docking domains from PikAIII and PikAIV of the pikromycin polyketide synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	59.016, 117.944, 41.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.760 - 1.750
R-factor	0.203
Rwork	0.201
R-free	0.25000
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.216
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.069	0.507
Number of reflections	14954
<I/σ(I)>	15.586	2.1
Completeness [%]	99.2	98
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	20 mM HEPES pH 7.8, 150 mM NaCl, 55% 2-methyl-2,4-pentanediol, 200 mM sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5	277	20 mM HEPES pH 7.8, 150 mM NaCl, 55% 2-methyl-2,4-pentanediol, 200 mM sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K