3DTB

The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	62.154, 119.683, 86.849
Unit cell angles	90.00, 107.05, 90.00

Refinement procedure

Resolution	28.830 - 1.300
R-factor	0.169
Rwork	0.168
R-free	0.19300
RMSD bond length	0.013
RMSD bond angle	1.513
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.118	0.062	0.783
Number of reflections	291304
<I/σ(I)>	8.5
Completeness [%]	97.9	99.4	87.4
Redundancy	10.5	7.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop vapor diffusion	7.4	298	12-30% PEG 3350, 0.1M HEPES, 10 MM MNCL2, pH 7.4, hanging drop vapor diffusion, temperature 298K