1MZJ

Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9700
Spacegroup name	P 31
Unit cell lengths	96.000, 96.000, 72.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	500.000 - 2.100
R-factor	0.217
Rwork	0.215
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ebl
RMSD bond length	0.006 *
RMSD bond angle	0.006
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.061 *	0.587 *
Total number of observations	264571 *
Number of reflections	43722
<I/σ(I)>	8.6	3
Completeness [%]	99.5	100
Redundancy	6.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	PEG 8000, sodium cacodylate, magnesium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
2	1	drop	Tris	10 (mM)	pH7.4
3	1	drop	dithiothreitol	1 (mM)
4	1	reservoir	PEG8000	10 (%(w/v))
5	1	reservoir	magnesium acetate	200 (mM)
6	1	reservoir	sodium cacodylate	100 (mM)	pH6.5