8ZVW

human citrate synthase complexed with oxaloacetate and coenzyme A

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 43 21 2
Unit cell lengths	57.370, 57.370, 250.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.100 - 1.820
R-factor	0.22603
Rwork	0.223
R-free	0.29798
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.698
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	1.870
High resolution limit [Å]	1.820	1.820
Rmerge	0.227	2.068
Rmeas	0.232	2.128
Number of reflections	38983	2830
<I/σ(I)>	8.8	1.2
Completeness [%]	100.0
Redundancy	22.4
CC(1/2)	0.995	0.348

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