3ZW9

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	65.592, 126.652, 225.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.900
R-factor	0.23076
Rwork	0.228
R-free	0.28745
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.668
Data reduction software	XDS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.975
High resolution limit [Å]	2.900	2.900
Rmerge	0.100
Number of reflections	42965
<I/σ(I)>	14.8
Completeness [%]	99.7
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		100MM MES PH 6.0, 150MM AMMONIUM SULPHATE, 15% W/V PEG4000