28JJ

Crystal structure of rat peroxisomal multifunctional enzyme type-1 complexed with 2E,4E-decadienoyl-CoA, 3R-hydroxy-4E-decenoyl-CoA and NAD

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-26
Detector	Bruker PHOTON II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.481, 126.719, 226.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.798 - 2.300
Rwork	0.221
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.457
Data reduction software	SAINT (8.38A)
Data scaling software	SADABS (2016/2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.798	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.291	2.400
Rpim	0.060	0.773
Number of reflections	110584	5357
<I/σ(I)>	11.6	1.1
Completeness [%]	99.9	99.2
Redundancy	24	10.2
CC(1/2)	0.993	0.198

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	125 mM MES, pH 6; 17 %w/v Polyethylene glycol 4000; 175 mM Ammonium sulfate