6ZIB

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH ACETOACETYL-COA AND NADH

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972957
Spacegroup name	P 21 21 21
Unit cell lengths	65.937, 127.390, 228.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.880 - 2.700
Rwork	0.232
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5omo
RMSD bond length	0.004
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.880	2.780
High resolution limit [Å]	2.700	2.700
Rmerge	0.157	1.092
Rpim	0.060	0.406
Number of reflections	51199	4422
<I/σ(I)>	11.7	2
Completeness [%]	95.5
Redundancy	7.77
CC(1/2)	0.995	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	MES, pH 6; 16%w/v PEG 4000; 150mM ammonium sulfate. Co-crystallized with 2mM CoA