1FJ4

THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-15
Detector	ENRAF-NONIUS
Spacegroup name	P 21 21 21
Unit cell lengths	59.073, 138.967, 211.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.350
R-factor	0.197 *
Rwork	0.197
R-free	0.25300
RMSD bond length	0.007
RMSD bond angle	26.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.960	2.400
High resolution limit [Å]	2.270	2.350
Rmerge	0.148	0.566
Total number of observations	626204 *
Number of reflections	76664
<I/σ(I)>	8.3
Completeness [%]	95.5	92.1 *
Redundancy	4.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8 *	291	Ammonium Sulfate, PEG 400, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-HCl	10 (mM)
2	1	1	dithiothreitol	1 (mM)
3	1	1	EDTA	1 (mM)
4	1	1	protein	15 (mg/ml)