9EIS

Ethylene forming enzyme in complex with manganese and 2-oxoglutarate from Penicillium digitatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127
Spacegroup name	P 21 21 21
Unit cell lengths	104.159, 117.400, 140.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.850 - 2.800
R-factor	0.2517
Rwork	0.250
R-free	0.28650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.560
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.100	2.910
High resolution limit [Å]	2.800	2.800
Number of reflections	43000	4494
<I/σ(I)>	5.5	1.7
Completeness [%]	99.5
Redundancy	6.7
CC(1/2)	0.949	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 % PEG 8000, 100 mM imidazole-HCl (pH 8.0), and 200 mM calcium acetate and soaked overnight with 1 mM MnCl2 and 2OG