2TRM

THE THREE-DIMENSIONAL STRUCTURE OF ASN102 MUTANT OF TRYPSIN. ROLE OF ASP102 IN SERINE PROTEASE CATALYSIS


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1THE CRYSTALS WERE GROWN AT PH 8 WHICH IS WITHIN THE PH RANGE (7 - 9) WHERE NATIVE TRYPSIN IS OPTIMALLY ACTIVE.
Crystal Properties
Matthews coefficientSolvent content
3.3763.45

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 124.38α = 90
b = 124.38β = 90
c = 124.38γ = 90
Symmetry
Space GroupI 2 3

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 DIFFRACTION2.870.157
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_deg2.8
p_bond_d0.011
p_angle_d
p_planar_d
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_plane_restr
RMS Deviations
KeyRefinement Restraint Deviation
p_angle_deg2.8
p_bond_d0.011
p_angle_d
p_planar_d
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_plane_restr
p_chiral_restr
p_singtor_nbd
p_multtor_nbd
p_xhyhbond_nbd
p_xyhbond_nbd
p_planar_tor
p_staggered_tor
p_orthonormal_tor
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1666
Nucleic Acid Atoms
Solvent Atoms122
Heterogen Atoms10

Software

Software
Software NamePurpose
PROLSQrefinement