8OJQ

Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 T778 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	2021-05-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.981
Spacegroup name	P 21 21 2
Unit cell lengths	128.000, 159.840, 141.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.189 - 3.049
R-factor	0.206582212729
Rwork	0.205
R-free	0.24022
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.818
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]	49.189	3.150
High resolution limit [Å]	3.049	3.049
Rmerge	0.092	2.493
Number of reflections	55452	5360
<I/σ(I)>	14.89	0.88
Completeness [%]	99.7	96.6
Redundancy	14
CC(1/2)	0.999	0.444

Crystallization Conditions

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