4KIV | pdb_00004kiv

RECOMBINANT KRINGLE IV-10/W72R MUTANT OF HUMAN APOLIPOPROTEIN(A)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.5pH 6.5
Crystal Properties
Matthews coefficientSolvent content
1.5622

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 24.3α = 90
b = 45.82β = 90
c = 56.23γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray130IMAGE PLATERIGAKU RAXIS IIMSC-YALE MIRRORS1997-10-12M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RUH2R

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
12.224.3640.0897.22.96494
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
2.22.5450.172

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Work (Depositor)R-Free (Depositor)Mean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENT2.2712114440.16221.5
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_transverse_tor22.3
p_staggered_tor19
p_planar_tor4
p_scangle_it2.456
p_scbond_it1.748
p_mcangle_it1.645
p_mcbond_it1.046
p_xyhbond_nbd0.29
p_multtor_nbd0.28
p_singtor_nbd0.22
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor22.3
p_staggered_tor19
p_planar_tor4
p_scangle_it2.456
p_scbond_it1.748
p_mcangle_it1.645
p_mcbond_it1.046
p_xyhbond_nbd0.29
p_multtor_nbd0.28
p_singtor_nbd0.22
p_chiral_restr0.13
p_planar_d0.041
p_angle_d0.032
p_plane_restr0.028
p_bond_d0.011
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 Atoms632
Nucleic Acid Atoms
Solvent Atoms41
Heterogen Atoms

Software

Software
Software NamePurpose
RIGAKUdata collection
RIGAKUdata reduction
AMoREphasing
PROFFTrefinement
R-AXISdata reduction
R-AXISdata scaling