5MGB

Crystal Structure of Rat Peroxisomal Multifunctional enzyme Type-1 (RPMFE1) Complexed with Acetoacetyl-CoA and NAD

Replaces:  5AAK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	65.230, 125.820, 223.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.560 - 2.800
R-factor	0.21176
Rwork	0.209
R-free	0.26104
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2x58
RMSD bond length	0.008
RMSD bond angle	1.311
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.8.0155)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.560	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.130	0.380
Number of reflections	38432
<I/σ(I)>	8	2.4
Completeness [%]	83.8	84
Redundancy	3.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	295	100 mM MES pH 6.0, 150 mM Ammonium sulphate, 15 % w/v PEG4000