3BJL

LOC, A LAMBDA 1 TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN) CRYSTALLIZED IN AMMONIUM SULFATE


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.7655.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 149.3α = 90
b = 72.4β = 90
c = 46.5γ = 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
12.31318991

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 DIFFRACTION2.31031453976.60.165
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_tor25.7
p_orthonormal_tor19.8
p_planar_tor2.3
p_scangle_it2.019
p_mcangle_it1.634
p_scbond_it1.209
p_mcbond_it0.893
p_multtor_nbd0.324
p_xhyhbond_nbd0.293
p_singtor_nbd0.226
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor25.7
p_orthonormal_tor19.8
p_planar_tor2.3
p_scangle_it2.019
p_mcangle_it1.634
p_scbond_it1.209
p_mcbond_it0.893
p_multtor_nbd0.324
p_xhyhbond_nbd0.293
p_singtor_nbd0.226
p_chiral_restr0.19
p_planar_d0.055
p_angle_d0.044
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 Atoms364
Heterogen Atoms

Software

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