4GNL

Structure of rat cytosolic PEPCK Ld_2g in complex with PEP and GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.15
Spacegroup name	P 21 21 21
Unit cell lengths	61.255, 84.752, 118.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.110 - 1.700
R-factor	0.1945
Rwork	0.192
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dtb
RMSD bond length	0.012
RMSD bond angle	1.527
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.073	0.043	0.952
Number of reflections	68183
<I/σ(I)>	12.3
Completeness [%]	99.9	99.4	100
Redundancy	8.7	8.5	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	22-26% PEG3350, 0.1 M HEPES, pH 7.4, 10 mM manganese chloride, 10 mM GDP, 10 mM PEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K