2WU9

Crystal structure of peroxisomal KAT2 from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-02
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	60.831, 86.670, 72.750
Unit cell angles	90.00, 106.71, 90.00

Refinement procedure

Resolution	34.600 - 1.500
R-factor	0.151
Rwork	0.150
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wua
RMSD bond length	0.006
RMSD bond angle	1.088
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.600	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.080	0.500
Number of reflections	112318
<I/σ(I)>	15.2	2.6
Completeness [%]	97.2	81.2
Redundancy	5.1	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9		HANGING DROP. AT-KAT2 AT 11.8 MG/ML IN 20MM TRIS(HCL) PH9.0, 150MM NACL, 2MM EDTA, 5% (V/V) GLYCEROL, 2MM DTT, 2MM C12-COA AGAINST A WELL SOLUTION CONTAINING 20% (W/V) PEG 3350, 0.2M LI(CH3COO)2, 0.002% ETHYLENE GLYCOL.