1LVE

STRUCTURE OF THE VARIABLE DOMAIN OF HUMAN IMMUNOGLOBULIN K-4 LIGHT CHAIN LEN


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelOtherWAT (MONOMER 2)

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
171.5 M AMMONIUM SULFATE, PH 7.0
Crystal Properties
Matthews coefficientSolvent content
1.8433

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 43.11α = 90
b = 83.53β = 90
c = 54.47γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray293DIFFRACTOMETERPICKER1990-11-30M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

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
11.9523.4997471

Refinement

Statistics
Diffraction IDStructure Solution MethodStarting modelResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTWAT (MONOMER 2)1.951035053670.160.150.27RANDOM16.2
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_tor24.3
p_transverse_tor20.6
p_planar_tor3.1
p_scangle_it2.51
p_scbond_it1.58
p_mcangle_it1.51
p_mcbond_it0.9
p_multtor_nbd0.277
p_xyhbond_nbd0.259
p_singtor_nbd0.217
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor24.3
p_transverse_tor20.6
p_planar_tor3.1
p_scangle_it2.51
p_scbond_it1.58
p_mcangle_it1.51
p_mcbond_it0.9
p_multtor_nbd0.277
p_xyhbond_nbd0.259
p_singtor_nbd0.217
p_chiral_restr0.187
p_planar_d0.051
p_angle_d0.043
p_bond_d0.019
p_plane_restr0.016
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms890
Nucleic Acid Atoms
Solvent Atoms123
Heterogen Atoms

Software

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