7Q84

Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-05-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	87.871, 133.222, 139.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 2.000
R-factor	0.1854
Rwork	0.183
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1is2
RMSD bond length	0.015
RMSD bond angle	1.969
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	1.319
Rmeas	0.096	1.367
Rpim	0.026	0.358
Number of reflections	110023	10875
<I/σ(I)>	17.38
Completeness [%]	99.0	99.35
Redundancy	13.9
CC(1/2)	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	12.5 % PEG 8000, 0.09 M ammonium sulfate, 0.05 M sodium cacodylate (pH 6.0)