3DT2

The structure of rat cytosolic PEPCK in complex with oxalate and GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	60.423, 84.906, 119.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.170 - 1.500
R-factor	0.16
Rwork	0.159
R-free	0.18500
RMSD bond length	0.011
RMSD bond angle	1.396
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	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.093	0.040	0.690
Number of reflections	98885
<I/σ(I)>	9.2
Completeness [%]	99.9	99.6	99.6
Redundancy	6.9	6.8	5.7

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