1VSE

ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, LOW MG CONCENTRATION FORM


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.5pH 7.5 THE PROTEIN WAS CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, 100 MILLIMOLAR HEPES PH 7.5. CRYSTALS WERE THEN SOAKED IN 20 MILLIMOLAR MGCL2.
Crystal Properties
Matthews coefficientSolvent content
2.6854.02

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 66.25α = 90
b = 66.25β = 90
c = 81.58γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray295IMAGE PLATEMAR scanner 300 mm plate1995-05-30M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODE

Data Collection

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 DIFFRACTION2.282762486.10.1380.20122.82
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_orthonormal_tor36.8
p_staggered_tor17.4
p_scangle_it7.426
p_scbond_it4.962
p_mcangle_it3.55
p_planar_tor3.4
p_mcbond_it2.275
p_multtor_nbd0.215
p_singtor_nbd0.199
p_xhyhbond_nbd0.197
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor36.8
p_staggered_tor17.4
p_scangle_it7.426
p_scbond_it4.962
p_mcangle_it3.55
p_planar_tor3.4
p_mcbond_it2.275
p_multtor_nbd0.215
p_singtor_nbd0.199
p_xhyhbond_nbd0.197
p_chiral_restr0.149
p_planar_d0.049
p_angle_d0.041
p_plane_restr0.017
p_bond_d0.013
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 Atoms1125
Nucleic Acid Atoms
Solvent Atoms124
Heterogen Atoms15

Software

Software
Software NamePurpose
PROLSQrefinement
DENZOdata reduction
SCALEPACKdata scaling