9F0G

LmCpfC H182A variant in complex with iron coproporhyrin III

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	2023-01-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	37.534, 68.090, 63.200
Unit cell angles	90.00, 102.71, 90.00

Refinement procedure

Resolution	36.610 - 1.850
R-factor	0.174
Rwork	0.172
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.065
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.610	1.916
High resolution limit [Å]	1.850	1.850
Number of reflections	26434	2582
<I/σ(I)>	7.64
Completeness [%]	99.3
Redundancy	2
CC(1/2)	0.996	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	13.455% PEG 3350 0.2M MgCl2 0.1M BIS-TRIS 5.5 pH