7MSS

Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinate, magnesium ion and CoA

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	80.471, 81.092, 54.486
Unit cell angles	90.00, 103.37, 90.00

Refinement procedure

Resolution	53.010 - 1.750
R-factor	0.2041
Rwork	0.202
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cae
Data reduction software	DIALS
Data scaling software	xia2 (3.4.2)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.320	56.350	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmeas	0.093	0.033	2.131
Rpim	0.051	0.018	1.157
Total number of observations	215571	11909	10838
Number of reflections	66677	3503	3252
<I/σ(I)>	12.4	63.6	0.5
Completeness [%]	97.2	99.5	95.2
Redundancy	3.2	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	22.5% (w/v) PEG3350, 100 mM Ammonium succinate pH 7.5, 100 mM Tris-HCl 7.4