8AW7

Structure of coproporphyrin III-LmCpfC R45L

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	2021-01-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	P 1
Unit cell lengths	37.693, 48.926, 52.471
Unit cell angles	92.40, 103.52, 109.05

Refinement procedure

Resolution	32.700 - 2.640
R-factor	0.1717
Rwork	0.169
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rwv
RMSD bond length	0.005
RMSD bond angle	0.681
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]	32.700	2.734
High resolution limit [Å]	2.640	2.640
Rmerge	0.062	0.309
Rmeas	0.075	0.387
Rpim	0.041	0.228
Number of reflections	9928	985
<I/σ(I)>	17.93	3.34
Completeness [%]	98.7
Redundancy	3.3
CC(1/2)	0.978	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18% PEG 8000 20% Glycerol