8OJZ

Arabidopsis thaliana Phosphoenolpyruvate carboxylase 1 (PPC1) G678S 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	2021-02-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.981
Spacegroup name	P 21 21 2
Unit cell lengths	128.270, 160.280, 141.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.320 - 3.248
R-factor	0.222337246982
Rwork	0.220
R-free	0.26107
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
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]	49.320	3.440
High resolution limit [Å]	3.248	3.248
Rmerge	0.241	3.044
Number of reflections	46684	7212
<I/σ(I)>	8.43	0.83
Completeness [%]	99.5	97.2
Redundancy	13.52	14
CC(1/2)	0.998	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	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