2LIV

PERIPLASMIC BINDING PROTEIN STRUCTURE AND FUNCTION. REFINED X-RAY STRUCTURES OF THE LEUCINE/ISOLEUCINE/VALINE-BINDING PROTEIN AND ITS COMPLEX WITH LEUCINE


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.2244.69

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 39.88α = 90
b = 70.99β = 90
c = 115.63γ = 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 DIFFRACTION2.410118170.179
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_planar_tor4.9
p_scangle_it2.111
p_scbond_it1.347
p_mcangle_it1.295
p_mcbond_it0.764
p_multtor_nbd0.319
p_xhyhbond_nbd0.259
p_singtor_nbd0.216
p_chiral_restr0.212
p_planar_d0.063
RMS Deviations
KeyRefinement Restraint Deviation
p_planar_tor4.9
p_scangle_it2.111
p_scbond_it1.347
p_mcangle_it1.295
p_mcbond_it0.764
p_multtor_nbd0.319
p_xhyhbond_nbd0.259
p_singtor_nbd0.216
p_chiral_restr0.212
p_planar_d0.063
p_angle_d0.046
p_bond_d0.02
p_plane_restr0.016
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_staggered_tor
p_orthonormal_tor
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2589
Nucleic Acid Atoms
Solvent Atoms121
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement