9XDG

Glyoxysomal Citrate Synthase 3 from Arabidopsis thaliana in complex with OAA and MNB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 2
Unit cell lengths	192.336, 63.550, 76.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.915 - 2.294
Rwork	0.204
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.714
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]	43.590	2.320
High resolution limit [Å]	2.290	2.290
Rmerge	0.203	1.375
Number of reflections	42621	1529
<I/σ(I)>	8.96
Completeness [%]	99.0
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM OAA and 10% volume of a saturated solution of DNTB in 70mM HEPES pH7.0, 7mM MgCl2, 14%(w/v) PEG3350