8BBV

Coproporphyrin III - LmCpfC complex soaked 2min with Fe2+

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	2022-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	36.615, 66.919, 61.802
Unit cell angles	90.00, 103.22, 90.00

Refinement procedure

Resolution	34.300 - 2.190
R-factor	0.1946
Rwork	0.192
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8at8
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	2.268
High resolution limit [Å]	2.190	2.190
Rmerge	0.061	0.604
Rmeas	0.087	0.854
Rpim	0.061	0.604
Number of reflections	15035	1502
<I/σ(I)>	7.5	1.3
Completeness [%]	99.8	99.87
Redundancy	2
CC(1/2)	0.996	0.583

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