9E37

Polaromonas naphthalenivorans phosphoenolpyruvate carboxykinase in complex with oxalate and GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-01-01
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	68.489, 85.557, 112.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.500 - 2.000
R-factor	0.1652
Rwork	0.164
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.594
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	CRANK
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.500	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.119	0.637
Rmeas	0.124	0.686
Rpim	0.033	0.244
Number of reflections	49489	4114
<I/σ(I)>	13.8	2.8
Completeness [%]	98.9	91.2
Redundancy	13.1	6.7
CC(1/2)	0.962	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100 mM TRIS-Cl pH 8.0, 0.4 M LiCl2, 5 mM MgCl2, 1 mM MnCl2, 30-40% PEG 8000, 10 mM oxalate and 10 mM GTP. 15 mg/mL PnPEPCK