5V9H

Structure of the H477R variant of rat cytosolic PEPCK in complex with phosphoglycolate and GDP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-08-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	60.480, 119.433, 88.166
Unit cell angles	90.00, 105.30, 90.00

Refinement procedure

Resolution	85.040 - 2.150
R-factor	0.2435
Rwork	0.241
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dtb
RMSD bond length	0.007
RMSD bond angle	1.179
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	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.132	0.069	0.819
Rmeas	0.143	0.075	0.895
Rpim	0.054	0.029	0.359
Total number of observations	458307
Number of reflections	65917
<I/σ(I)>	10.3
Completeness [%]	99.9	99.5	100
Redundancy	7	7.1	6.1
CC(1/2)		0.996	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	24 - 34% PEG 3350 and 100mM HEPES, at pH 7.4