2QEW

Rat cytosolic PEPCK, in complex with manganese ion.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-04-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	44.448, 119.046, 60.599
Unit cell angles	90.00, 109.59, 90.00

Refinement procedure

Resolution	24.260 - 1.800
R-factor	0.18
Rwork	0.178
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khg
RMSD bond length	0.008
RMSD bond angle	1.079
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.546
Number of reflections	53469
<I/σ(I)>	13.1
Completeness [%]	97.9	93.2
Redundancy	7.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	12-30% PEG 3350, 0.1M HEPES pH 7.4, 10 mM MnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K