9BR6

Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	C 1 2 1
Unit cell lengths	91.083, 115.126, 79.220
Unit cell angles	90.00, 100.79, 90.00

Refinement procedure

Resolution	44.740 - 2.400
R-factor	0.222
Rwork	0.221
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.532
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.840	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.110	1.593
Rmeas	0.130	1.925
Rpim	0.068	1.069
Total number of observations	110121	10391
Number of reflections	31313	3265
<I/σ(I)>	7	0.8
Completeness [%]	99.8
Redundancy	3.5	3.2
CC(1/2)	0.996	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.2 M NaCl, 0.1 M Tris, pH 8.5, 25% PEG 3,350