4GBV

Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase Mutant A54L with 1,2-ethanediol as Cryo-protectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	53.690, 82.506, 166.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 2.900
R-factor	0.1803
Rwork	0.177
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.545
Data reduction software	d*TREK (9.7L)
Data scaling software	d*TREK (9.7L)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.100	32.100	3.000
High resolution limit [Å]	2.900	6.230	2.900
Rmerge	0.122	0.061	0.295
Total number of observations		2471	2376
Number of reflections	8010
<I/σ(I)>	6.6	13	3
Completeness [%]	93.7	86.6	96.8
Redundancy	2.96	3.05	2.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	298	PEG 3350, t-butyl alcohol, 1,2-ethanediol, pH 7.5, hanging drop, temperature 298K