9FVS

Crystal structure of Heme-Oxygenase mutant G139A 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	2024-04-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	46.932, 55.111, 76.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.680 - 1.400
R-factor	0.1753
Rwork	0.175
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.563
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.680	1.420
High resolution limit [Å]	1.400	1.400
Rmeas	0.187	3.010
Number of reflections	39800	1969
<I/σ(I)>	7.3
Completeness [%]	98.8	97
Redundancy	7.4	7.4
CC(1/2)	0.997	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	294	20% PEG3350, 200 mM magnesium formate pH 5.9