5V9F

Structure of the H477R variant of rat cytosolic PEPCK in complex with beta sulfopyruvate and GTP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	46.285, 119.506, 60.707
Unit cell angles	90.00, 107.81, 90.00

Refinement procedure

Resolution	59.750 - 2.050
R-factor	0.197
Rwork	0.195
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dt7
RMSD bond length	0.008
RMSD bond angle	1.292
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.123	0.063	0.756
Rmeas	0.133	0.068	0.835
Rpim	0.051	0.026	0.348
Total number of observations	255299
Number of reflections	39151
<I/σ(I)>	10.4
Completeness [%]	99.4	99.7	95.4
Redundancy	6.5	7	5
CC(1/2)		0.997	0.773

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