8Z02

CoA bound to human GTP-specific succinyl-CoA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	56.630, 105.700, 126.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.781 - 2.320
R-factor	0.2143
Rwork	0.212
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cae
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.781	48.780	2.400
High resolution limit [Å]	2.320	8.990	2.320
Rmerge	0.210	0.042	1.176
Rmeas	0.224	0.046	1.249
Rpim	0.077	0.016	0.408
Total number of observations		4901	29940
Number of reflections	33736	678	3249
<I/σ(I)>	9.7	26.9	2.2
Completeness [%]	99.9	99.3	99.9
Redundancy	8.9	7.2	9.2
CC(1/2)	0.990	0.998	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M HEPES pH 7, 15% w/v PEG 20000