6Z5O

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE

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	62.646, 106.664, 114.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 1.700
Rwork	0.189
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5omo
RMSD bond length	0.008
RMSD bond angle	1.612
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]	48.900	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.126	1.005
Rpim	0.046	0.370
Number of reflections	80675	4187
<I/σ(I)>	9.9	2
Completeness [%]	95.1	94.9
Redundancy	8.13
CC(1/2)	0.995	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	75mM MES, pH 6; 16%w/v PEG 4000; 125mM ammonium sulfate.