6WCV

Tartryl-CoA bound to human GTP-specific succinyl-CoA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	87.069, 82.465, 49.276
Unit cell angles	90.00, 102.87, 90.00

Refinement procedure

Resolution	59.150 - 1.520
R-factor	0.1687
Rwork	0.167
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cae
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.150	59.190	1.540
High resolution limit [Å]	1.520	4.120	1.520
Rmerge	0.080	0.047	0.663
Number of reflections	104120	5337	4997
<I/σ(I)>	4.4
Completeness [%]	99.6	100	95.7
Redundancy	3.2	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	17.5% (w/v) polyethylene glycol 3350, 180 mM ammonium tartrate pH 7.0, 100 mM MES pH 6.4