8QX3

Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant

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	P 1 21 1
Unit cell lengths	127.670, 159.160, 140.990
Unit cell angles	90.00, 92.03, 90.00

Refinement procedure

Resolution	48.987 - 2.947
R-factor	0.20595509357
Rwork	0.204
R-free	0.24028
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.665
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]	48.987	3.120
High resolution limit [Å]	2.947	2.947
Rmerge	0.132	1.879
Number of reflections	118629	18703
<I/σ(I)>	10.48
Completeness [%]	99.5
Redundancy	7.04
CC(1/2)	0.998	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.09M Sodium nitrate, 0.09 Sodium phosphate dibasic, 0.09M Ammonium sulfate, 0.1M MES monohydrate pH6.5, 20% v/v Ethylene glycol; 10 % w/v PEG 8K