9EJ2

Rat cytosolic PEPCK in complex with GTP and oxalate (313K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	313
Detector technology	PIXEL
Collection date	2023-01-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.1271
Spacegroup name	P 1 21 1
Unit cell lengths	45.296, 120.160, 61.118
Unit cell angles	90.00, 111.47, 90.00

Refinement procedure

Resolution	56.880 - 2.120
R-factor	0.1912
Rwork	0.189
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.820	2.150
High resolution limit [Å]	2.110	2.110
Rmerge	0.111	1.436
Rmeas	0.121	1.564
Rpim	0.047	0.615
Number of reflections	34331	1714
<I/σ(I)>	6.2	0.2
Completeness [%]	99.6	98.85
Redundancy	6.57	6.33
CC(1/2)	0.996	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	313	0.1 M HEPES pH 7.5, 0.5 uL of 100 mM MnCl2, 10 mM GTP, and 18-28% PEG 3350