8Z03

Lactate bound to human GTP-specific succinyl-CoA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	54.120, 134.370, 57.830
Unit cell angles	90.00, 92.13, 90.00

Refinement procedure

Resolution	42.129 - 1.990
R-factor	0.209
Rwork	0.207
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cae
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.810	43.810	2.040
High resolution limit [Å]	1.990	8.900	1.990
Rmerge	0.180	0.091	0.872
Rmeas	0.201	0.101	0.965
Rpim	0.087	0.044	0.410
Total number of observations	286049	3276	21847
Number of reflections	55815	630	4109
<I/σ(I)>	6.6	14.6	2.2
Completeness [%]	99.0	97.1	98.7
Redundancy	5.1	5.2	5.3
CC(1/2)	0.986	0.984	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Ammonium sulfate, 0.1 M TRIS pH=7.5, 20% w/v PEG MME 5000