8QTM

Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 G678S mutant with bound malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980114
Spacegroup name	I 41 2 2
Unit cell lengths	242.871, 242.871, 396.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.560 - 3.092
R-factor	0.20362961591
Rwork	0.203
R-free	0.25253
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.560	3.209
High resolution limit [Å]	3.092	3.092
Rmerge	0.280	3.357
Number of reflections	100172	10843
<I/σ(I)>	8.16
Completeness [%]	93.3
Redundancy	25.4
CC(1/2)	0.999	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1M Hepes pH7.5; 0.2M MgCl2; 30% PEG400