8QX1

Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G 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)	0.9801
Spacegroup name	I 41 2 2
Unit cell lengths	242.380, 242.380, 396.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.117 - 2.945
R-factor	0.205129681444
Rwork	0.203
R-free	0.24177
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	3.120
High resolution limit [Å]	2.940	2.940
Rmerge	0.298	3.435
Number of reflections	123364	19319
<I/σ(I)>	10.13
Completeness [%]	99.6
Redundancy	23.82
CC(1/2)	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	30% w/v PEG400; 0.1M MES pH6.5; 0,1M NaAc