6Z5V

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3-KETODECANOYL-COA IN CROTONASE FOLD AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE IN HAD FOLD

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	65.314, 126.298, 224.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.149 - 2.330
Rwork	0.203
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5omo
RMSD bond length	0.005
RMSD bond angle	1.186
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]	29.150	2.370
High resolution limit [Å]	2.320	2.330
Rmerge	0.053	0.798
Rpim	0.022	0.359
Number of reflections	80007	3880
<I/σ(I)>	17.9	2.1
Completeness [%]	99.2	86.6
Redundancy	6.66
CC(1/2)	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	125mM MES, pH 6; 17%w/v PEG4000; 175mM ammonium sulfate