6TIM

THE ADAPTABILITY OF THE ACTIVE SITE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AS OBSERVED IN THE CRYSTAL STRUCTURES OF THREE DIFFERENT COMPLEXES


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1THIS STRUCTURE IS OBTAINED FROM CRYSTALS GROWN IN 2.4M AMMONIUM SULPHATE AND TRANSFERRED INTO SULPHATE FREE MOTHER LIQUOR CONTAINING 6MM DL-GLYCEROL-3-PHOSPHATE.
Crystal Properties
Matthews coefficientSolvent content
2.3848.31

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 112.36α = 90
b = 97.59β = 90
c = 46.65γ = 90
Symmetry
Space GroupP 21 21 21

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.250168810.37
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
t_angle_deg2.5
t_trig_c_planes0.023
t_bond_d0.014
t_dihedral_angle_d
t_incorr_chiral_ct
t_pseud_angle
t_gen_planes
t_it
t_nbd
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3766
Nucleic Acid Atoms
Solvent Atoms91
Heterogen Atoms10

Software

Software
Software NamePurpose
TNTrefinement