4GBW

Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase Mutant A54L with 1,2-propanediol 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	53.381, 82.718, 165.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.410 - 2.000
R-factor	0.1948
Rwork	0.192
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.992
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]	39.410	39.410	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.065	0.035	0.277
Total number of observations		9322	2664
Number of reflections	20855
<I/σ(I)>	11.7	29.1	2.7
Completeness [%]	82.8	83.3	56.5
Redundancy	3.58	4.13	1.89

Crystallization Conditions

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