7MSR

Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinyl-phosphate, magnesium ion and desulfo-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	2021-04-10
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	80.436, 81.452, 54.331
Unit cell angles	90.00, 103.37, 90.00

Refinement procedure

Resolution	39.130 - 1.580
R-factor	0.2007
Rwork	0.199
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xru
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]	56.430	56.470	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmeas	0.071	0.040	2.117
Rpim	0.038	0.020	1.131
Total number of observations	320245	17620	15206
Number of reflections	92537	4785	4486
<I/σ(I)>	9.5	47.8	0.3
Completeness [%]	99.2	100	96.4
Redundancy	3.5	3.7	3.4

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 pH 7.4