<xsd:complexType name="pdbx_soln_scatter_modelType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Data items in the PDBX_SOLN_SCATTER_MODEL category record details about the homology model fitting to the solution scatter data.</xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="pdbx_soln_scatter_model" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="conformer_selection_criteria" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A description of the conformer selection criteria used. The modelled scattering curves were assessed by calculation of the RG, RSX-1 and RXS-2 values in the same Q ranges used in the experimental Guinier fits. models were then ranked using a goodness-of-fit R-factor defined by analogy with protein crystallography and based on the experimental curves in the Q range extending to 1.4 nm-1.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A description of any additional details concerning the experiment. Homology models were built for the 17 SCR domains and energy minimisations were performed to improve the connectivity in the fh model. triantennary complex-type carbohydrate structures (MAN3GLCNAC6GAL3FUC3NEUNAC1) were added to each of the N-linked glycosylation sites. a library of linker peptide conformations was used in domain modelling constrained by the solution scattering fits. modelling with the scattering data was also carried out by rotational search methods. the x-ray and neutron scattering curve I(Q) was calculated assuming a uniform scattering density for the spheres using the debye equation as adapted to spheres. x-ray curves were calculated from the hydrated sphere models without corrections for wavelength spread or beam divergence, while these corrections were applied for the neutron curves but now using unhydrated models.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="entry_fitting_list" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A list of the entries used to fit the model to the scattering data PDB CODE 1HFI, 1HCC, 1HFH, 1VCC</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="method" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A description of the methods used in the modelling Constrained scattering fitting of homology models</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="num_conformers_calculated" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">The number of model conformers calculated.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="num_conformers_submitted" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">The number of model conformers submitted in the entry</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="representative_conformer" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">The index of the representative conformer among the submitted conformers for the entry</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="software_author_list" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A list of the software authors MSI</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="software_list" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A list of the software used in the modeeling INSIGHT II, HOMOLOGY, DISCOVERY, BIOPOLYMER, DELPHI</xsd:documentation>
</xsd:annotation>
</xsd:element>
</xsd:all>
<xsd:attribute name="id" use="required" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The value of attribute id in category pdbx_soln_scatter_model must uniquely identify the sample in the category PDBX_SOLN_SCATTER_MODEL</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
<xsd:attribute name="scatter_id" use="required" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category pdbx_soln_scatter in the PDBX_SOLN_SCATTER category.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |