4GNP

Structure of rat cytosolic PEPCK Ld_3g 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	2011-03-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	60.875, 84.612, 118.842
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.740 - 1.744
R-factor	0.1874
Rwork	0.185
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dtb
RMSD bond length	0.012
RMSD bond angle	1.537
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.810
High resolution limit [Å]	1.744	3.770	1.744
Rmerge	0.062	0.031	0.499
Number of reflections	61576
<I/σ(I)>	14.6
Completeness [%]	97.6	90.7	98.9
Redundancy	5	5.5	4.5

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, VAPOR DIFFUSION, HANGING DROP, temperature 298K