2WUA

Structure of the peroxisomal 3-ketoacyl-CoA thiolase from Sunflower

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-22
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	78.596, 100.692, 105.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.346 - 1.800
R-factor	0.1872
Rwork	0.186
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c7y
RMSD bond length	0.006
RMSD bond angle	1.020
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.600	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	0.520
Number of reflections	77995
<I/σ(I)>	18	2.6
Completeness [%]	99.2	94.8
Redundancy	8.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9		HANGING DROP. HAKAT AT 10 MG/ML IN 20MM TRIS(HCL) PH9.0, 150MM NACL, 2MM EDTA, 5% (V/V) GLYCEROL, 2MM DTT MIXED WITH WELL SOLUTION: 20% (W/V) PEG 3350, 0.2M LI(CH3COO)2, 0.01M TAURINE.