9FY4

Crystal structure of Heme-Oxygenase mutant I143K from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III))

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	41.681, 63.525, 76.120
Unit cell angles	90.00, 97.37, 90.00

Refinement procedure

Resolution	48.610 - 2.839
R-factor	0.2372
Rwork	0.234
R-free	0.30610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (23-JAN-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.610	2.990
High resolution limit [Å]	2.839	2.839
Rmeas	0.307	1.035
Rpim	0.172	0.575
Number of reflections	9301	1291
<I/σ(I)>	3.8	1.1
Completeness [%]	98.6	94.4
Redundancy	3.1	3.1
CC(1/2)	0.961	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	25% PEG3350, 100 mM BIS-TRIS pH 5.5, 200 mM NaCl