28JK

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 COMPLEXED WITH 3R-HYDROXY-4E-DECENOYL-CoA AND REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	65.285, 126.869, 225.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.275 - 2.440
Rwork	0.174
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.435
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	XDS (Jun 30, 2023)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.275	2.330
High resolution limit [Å]	2.290	2.290
Rmerge	0.089	1.500
Number of reflections	84773	4329
<I/σ(I)>	19.9	1.6
Completeness [%]	99.8
Redundancy	13.4
CC(1/2)	0.999	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	100 mM MES, pH 6, 17 % w/v Polyethylene glycol 4000, 150 mM Ammonium sulfate