7MST

Phosphorylated human E105Qa GTP-specific succinyl-CoA synthetase complexed with coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	87.820, 82.927, 48.828
Unit cell angles	90.00, 103.47, 90.00

Refinement procedure

Resolution	46.340 - 1.610
R-factor	0.1797
Rwork	0.178
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wcv
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.500	59.540	1.640
High resolution limit [Å]	1.610	4.370	1.610
Rmeas	0.120	0.055	1.524
Rpim	0.064	0.028	0.797
Total number of observations	302968	16802	15371
Number of reflections	87400	4515	4307
<I/σ(I)>	6.3	29.5	0.4
Completeness [%]	99.3	100	97.9
Redundancy	3.5	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	Polyethylene glycol 3350, sodium fluoride, Tris-HCl pH 7.3