7Q4F

Structure of coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-08
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	P 3 1 2
Unit cell lengths	141.809, 141.809, 124.863
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.510 - 2.150
R-factor	0.1416
Rwork	0.140
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xuc
RMSD bond length	0.004
RMSD bond angle	0.602
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PDB-REDO

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.509	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.378
Rmeas	0.388	4.259
Number of reflections	77872	6892
<I/σ(I)>	9.37	0.64
Completeness [%]	97.0
Redundancy	19.9
CC(1/2)	0.994	0.223

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	20 %w/v PEG 3350 (Polymer), 0.1 M CBTP 6.4 pH (Buffer)