4GMM

Structure of rat cytosolic PEPCK Ld_1g in complex with Beta-Sulfopyruvate 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	2011-03-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	60.598, 84.774, 119.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 1.736
R-factor	0.18916
Rwork	0.187
R-free	0.22402
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dt7
RMSD bond length	0.013
RMSD bond angle	1.628
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]	100.000	100.000	1.810
High resolution limit [Å]	1.736	3.770	1.736
Rmerge	0.083	0.047	0.795
Number of reflections	62571
<I/σ(I)>	11.4
Completeness [%]	98.6	98.5	96
Redundancy	3.8	3.9	3.7

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