5FH1

The structure of rat cytosolic PEPCK variant E89D in complex with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-04
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	45.523, 119.119, 60.894
Unit cell angles	90.00, 107.66, 90.00

Refinement procedure

Resolution	59.560 - 1.550
R-factor	0.1852
Rwork	0.183
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qey
RMSD bond length	0.011
RMSD bond angle	1.532
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	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.061	0.033	0.362
Total number of observations	628907
Number of reflections	84925
<I/σ(I)>	14.8
Completeness [%]	94.7	99	61.9
Redundancy	7.4	7.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	25% PEG 3350, 0.1M HEPES PH 7.4, 8MM MNCL2, 10mM GTP