8ZW1

citrate synthases complexed with oxaloacetate and acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	57.523, 59.789, 72.582
Unit cell angles	102.52, 98.23, 118.76

Refinement procedure

Resolution	41.120 - 2.100
R-factor	0.23601
Rwork	0.233
R-free	0.29869
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.118
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.830	2.140
High resolution limit [Å]	2.030	2.030
Rmerge	0.114	0.841
Rmeas	0.151	1.134
Number of reflections	48136	7190
<I/σ(I)>	1.6
Completeness [%]	94.2
Redundancy	2
CC(1/2)	0.978	0.223

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M ammonium acetate pH=7.1, 20% w/v PEG3350