6ZIC

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3S-HYDROXYBUTANOYL-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	65.637, 127.086, 227.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.121 - 2.200
Rwork	0.200
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5omo
RMSD bond length	0.007
RMSD bond angle	1.540
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.122	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.095	1.022
Rpim	0.036	0.386
Number of reflections	96924	4732
<I/σ(I)>	11.7	2.1
Completeness [%]	99.6	100
Redundancy	7.58
CC(1/2)	0.998	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	125mM MES, pH 6; 18%w/v PEG 4000; 175mM ammonium. Co-crystallized with 2mM CoA.