9IKT

Crystal structure of the tetrapyrrole binding domain in CoaR at 2 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-09
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97881
Spacegroup name	P 21 21 2
Unit cell lengths	92.854, 100.465, 48.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.090 - 2.030
R-factor	0.1926
Rwork	0.191
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.854
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.100	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.122	1.540
Rmeas	0.128	1.638
Rpim	0.037	0.546
Number of reflections	29854	2167
<I/σ(I)>	15.1	2.1
Completeness [%]	100.0	99.9
Redundancy	11.9	8.8
CC(1/2)	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	BICINE, PEG 3350