1MZS

CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-01
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	72.340, 72.340, 100.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.1751
Rwork	0.175
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d9b
RMSD bond length	0.010
RMSD bond angle	1.550
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.111	0.301
Number of reflections	14354
<I/σ(I)>	15	3.15
Completeness [%]	85.3	0.92
Redundancy	7.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	4 *	Qiu, X., (1999) J.Biol.Chem., 274, 36465. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG6000	14 (%)