4GNQ

Structure of rat cytosolic PEPCK Ld_3g in complex with oxalate and GTP

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	2010-06-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	60.487, 84.329, 118.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.360 - 1.400
R-factor	0.175
Rwork	0.174
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dt2
RMSD bond length	0.017
RMSD bond angle	1.914
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	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.071	0.032	0.817
Number of reflections	119287
<I/σ(I)>	9.8
Completeness [%]	98.6	99.8	90.2
Redundancy	8.4	8.9	5.3

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 GTP, VAPOR DIFFUSION, HANGING DROP, temperature 298K