9MIQ

Wild-type Coproheme Decarboxylase from Streptomyces Coelicolor in complex with Monovinyl, Monopropionate Deuteroheme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	184.707, 184.707, 241.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 2.500
R-factor	0.2092
Rwork	0.209
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	18.626
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	144172	14204
<I/σ(I)>	16.2
Completeness [%]	99.7
Redundancy	13.1
CC(1/2)	0.993	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	291	Protein (500 uM) prepared with coproheme (15 mg/mL) in 100 mM HEPES/100 mM KCl pH7.5 buffer and 10 mM of KCN. Batch crystallization against a solution of 0.2 ammonium phosphate pH 7.0, 20% w/v polyethylene glycol 3,350, and 200mM