4BJL

LOCW, A LAMBDA 1 TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN) CRYSTALLIZED IN DISTILLED WATER


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.3948.56

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 118.92α = 90
b = 73.55β = 90
c = 49.83γ = 90
Symmetry
Space GroupP 21 21 21

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.41017457

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.410310327600.155
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_staggered_tor27.1
p_orthonormal_tor19.9
p_planar_tor2.2
p_scangle_it1.707
p_mcangle_it1.378
p_scbond_it1.026
p_mcbond_it0.764
p_multtor_nbd0.328
p_xhyhbond_nbd0.327
p_singtor_nbd0.232
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor27.1
p_orthonormal_tor19.9
p_planar_tor2.2
p_scangle_it1.707
p_mcangle_it1.378
p_scbond_it1.026
p_mcbond_it0.764
p_multtor_nbd0.328
p_xhyhbond_nbd0.327
p_singtor_nbd0.232
p_chiral_restr0.179
p_planar_d0.056
p_angle_d0.043
p_bond_d0.016
p_plane_restr0.013
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3196
Nucleic Acid Atoms
Solvent Atoms264
Heterogen Atoms

Software

Software
Software NamePurpose
X-PLORmodel building
PROLSQrefinement
X-PLORrefinement
X-PLORphasing