5OMO

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

Replaces:  5AAJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93928
Spacegroup name	P 21 21 21
Unit cell lengths	64.960, 125.080, 223.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 2.490
R-factor	0.19446
Rwork	0.193
R-free	0.22831
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2x58
RMSD bond length	0.010
RMSD bond angle	1.451
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	2.620
High resolution limit [Å]	2.490	2.490
Rmerge	0.060	0.280
Rpim	0.029	0.158
Number of reflections	64401	8976
<I/σ(I)>	16.6	4.2
Completeness [%]	99.2	96.1
Redundancy	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	295	100MM MES PH 6.0, 150MM AMMONIUM SULPHATE, 15% W/V PEG4000