1VSI

ASV INTEGRASE CORE DOMAIN WITH CA(II) COFACTOR


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.5PROTEIN WAS CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, 100 MM HEPES, PH 7.5, THEN SOAKED IN 100 MM CACL2.
Crystal Properties
Matthews coefficientSolvent content
2.6438

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 66.15α = 90
b = 66.15β = 90
c = 80.96γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray298IMAGE PLATERIGAKU RAXIS IICMIRRORS1996-09-08M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RUH2R

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym 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
12.21595.50.119.14.19230
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
2.22.2492.10.3753.053.4

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTIONISOSTRUCTURAL TO PDB ENTRY 1VSF2.2102886695.50.171
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_tor37.4
p_staggered_tor19.2
p_scangle_it8.101
p_scbond_it5.673
p_mcangle_it4.094
p_planar_tor3
p_mcbond_it2.634
p_multtor_nbd0.22
p_xyhbond_nbd0.22
p_singtor_nbd0.214
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor37.4
p_staggered_tor19.2
p_scangle_it8.101
p_scbond_it5.673
p_mcangle_it4.094
p_planar_tor3
p_mcbond_it2.634
p_multtor_nbd0.22
p_xyhbond_nbd0.22
p_singtor_nbd0.214
p_chiral_restr0.159
p_planar_d0.053
p_angle_d0.046
p_plane_restr0.018
p_bond_d0.015
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 Atoms1128
Nucleic Acid Atoms
Solvent Atoms99
Heterogen Atoms16

Software

Software
Software NamePurpose
PROFFTrefinement
DENZOdata reduction
SCALEPACKdata scaling