4PFK

PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1THE CRYSTALS USED IN THIS STUDY WERE GROWN FROM POTASSIUM PHOSPHATE WITH 2 MILLIMOLAR FRUCTOSE-6-PHOSPHATE. FOR THIS LIGANDED STRUCTURE, THE CRYSTALS WERE SOAKED IN FRUCTOSE-6-PHOSPHATE (F6P) AND ADP/MG IN POTASSIUM TARTRATE. F6P 323 AND THE EFFECTOR SITE ADP 326 ARE TREATED AS FULLY OCCUPIED WHILE ADP 324 IS TREATED AS HALF OCCUPIED.
Crystal Properties
Matthews coefficientSolvent content
2.3246.93

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 122.5α = 90
b = 84.1β = 90
c = 61.5γ = 90
Symmetry
Space GroupI 2 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.4300.169
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
RMS Deviations
KeyRefinement Restraint Deviation
p_angle_d0.041
p_bond_d0.011
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2392
Nucleic Acid Atoms
Solvent Atoms70
Heterogen Atoms72

Software

Software
Software NamePurpose
PROLSQrefinement