8G4U

Final ketosynthase+acyltransferase of the erythromycin modular polyketide synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	200
Detector technology	CCD
Collection date	2006-09-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.11587
Spacegroup name	P 1 21 1
Unit cell lengths	71.210, 167.940, 184.230
Unit cell angles	90.00, 99.43, 90.00

Refinement procedure

Resolution	76.230 - 2.900
R-factor	0.2404
Rwork	0.239
R-free	0.31430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.230	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.149	1.086
Rmeas	0.210
Rpim	0.149	0.149
Number of reflections	93921	9416
<I/σ(I)>	5.36	0.9
Completeness [%]	99.2	99.61
Redundancy	2	2
CC(1/2)	0.985	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	8 mg/mL Ery(KS6+AT7) was supplied with 1 mM cerulenin and added 3:1 to the well condition (10% PEG3350, 150 mM MgSO4, 150 mM NaCl, 100 mM Tris pH 7.5)