3ZWA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-30
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	65.350, 125.760, 225.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	112.900 - 2.470
R-factor	0.22109
Rwork	0.218
R-free	0.27922
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x58
RMSD bond length	0.017
RMSD bond angle	1.712
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.600	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.070
Number of reflections	64345
<I/σ(I)>	11.9	5.4
Completeness [%]	96.0	88.6
Redundancy	3.3	2.7

Crystallization Conditions

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