8CJ5

Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 A651V mutant with bound phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.981
Spacegroup name	P 21 21 2
Unit cell lengths	128.830, 156.620, 142.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.039 - 3.001
R-factor	0.217167515667
Rwork	0.215
R-free	0.26578
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.849
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]	49.040	3.500
High resolution limit [Å]	3.000	3.000
Rmerge	0.242	3.867
Number of reflections	58634	8677
<I/σ(I)>	8.6	0.39
Completeness [%]	99.6
Redundancy	10.34	8.7
CC(1/2)	0.996	0.838

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 pH 6.5, 20% v/v Ethylene glycol; 10 % w/v PEG 8K