6XUB

Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with monovinyl monopropionyl deuteroheme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	170
Detector technology	PIXEL
Collection date	2017-11-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	60.969, 123.382, 78.009
Unit cell angles	90.00, 98.71, 90.00

Refinement procedure

Resolution	48.189 - 1.780
R-factor	0.1764
Rwork	0.174
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dtz
Data reduction software	EDNA
Data scaling software	EDNA
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.192	1.621
High resolution limit [Å]	1.565	1.565
Number of reflections	156754	14679
<I/σ(I)>	6.33
Completeness [%]	98.0	92.16
Redundancy	3.05
CC(1/2)	0.996	0.223

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	PEG 33500, MgCl2