1EK4

BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH DODECANOIC ACID TO 1.85 RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	260
Detector technology	AREA DETECTOR
Collection date	1998-11-21
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	59.640, 142.260, 213.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.920 - 1.850
Rwork	0.173
R-free	0.19600
RMSD bond length	0.006
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.920	1.970
High resolution limit [Å]	1.850	1.850
Rmerge	0.049 *	0.267
Number of reflections	131071
Completeness [%]	84.0 *	65.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	294	1.8 M ammonium sulfate, 2 % PEG400, 0.1 M bis-Tris propane, pH 6.5, resulting pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	ammonium sulfate	1.9 (M)
3	1	reservoir	Bis-Tris propane	0.1 (M)
4	1	reservoir	PEG400	2 (%)