9F0F

Coproporphyrin III - LmCpfC WT complex soaked with Fe2+ and anomalous densities

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-05
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	1.70074
Spacegroup name	P 1 21 1
Unit cell lengths	37.158, 67.730, 62.494
Unit cell angles	90.00, 103.22, 90.00

Refinement procedure

Resolution	36.170 - 2.100
R-factor	0.1882
Rwork	0.183
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.458
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_4815)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.170	6.130
High resolution limit [Å]	2.100	2.100
Number of reflections	34445	1372
<I/σ(I)>	8.9	1.06
Completeness [%]	99.5	99.12
Redundancy	2	2
CC(1/2)	0.997	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	17.455% PEG MME 2000 0.2 M Calciumacetat 0.1 M BIS-Tris pH 6.3