2C9H

Structure of mitochondrial beta-ketoacyl synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-18
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	116.725, 58.056, 58.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.165 *
Rwork	0.177
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w0i
RMSD bond length	0.011 *
RMSD bond angle	0.024 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.490	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.140	0.570
Number of reflections	91192 *
<I/σ(I)>	13.95	2.27
Completeness [%]	98.3	88.9
Redundancy	12.79	4.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5	293 *	Coelho, A.V., (1996) Acta Crystallogr. D52, 1202. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	2-10 (%(v/v))
2	1	reservoir	sodium acetate	0.25-0.75 (M)