PDBx:pdbx_nmr_exptl_sampleType

<xsd:complexType name="pdbx_nmr_exptl_sampleType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">The chemical constituents of each NMR sample. Each sample is identified by a number and each component in the sample is identified by name. Example 1 This example was taken from the study of MCP-1 which is a dimer under the conditions studied. Three solutions with different isotope compositions were studied. <PDBx:pdbx_nmr_exptl_sampleCategory> <PDBx:pdbx_nmr_exptl_sample component="MCP-1" solution_id="1"> <PDBx:concentration>2</PDBx:concentration> <PDBx:concentration_units>mM</PDBx:concentration_units> <PDBx:isotopic_labeling>U-15N,13C</PDBx:isotopic_labeling> </PDBx:pdbx_nmr_exptl_sample> <PDBx:pdbx_nmr_exptl_sample component="H2O" solution_id="1"> <PDBx:concentration>90</PDBx:concentration> <PDBx:concentration_units>&#37;</PDBx:concentration_units> <PDBx:isotopic_labeling xsi:nil="true" /> </PDBx:pdbx_nmr_exptl_sample> <PDBx:pdbx_nmr_exptl_sample component="D2O" solution_id="1"> <PDBx:concentration>10</PDBx:concentration> <PDBx:concentration_units>&#37;</PDBx:concentration_units> <PDBx:isotopic_labeling xsi:nil="true" /> </PDBx:pdbx_nmr_exptl_sample> </PDBx:pdbx_nmr_exptl_sampleCategory> Example 2 This example was taken from the study of MCP-1 which is a dimer under the conditions studied. Three solutions with different isotope compositions were studied. <PDBx:pdbx_nmr_exptl_sampleCategory> <PDBx:pdbx_nmr_exptl_sample component="MCP-1" solution_id="2"> <PDBx:concentration>1</PDBx:concentration> <PDBx:concentration_units>mM</PDBx:concentration_units> <PDBx:isotopic_labeling>U-50&#37; 15N</PDBx:isotopic_labeling> </PDBx:pdbx_nmr_exptl_sample> <PDBx:pdbx_nmr_exptl_sample component="H2O" solution_id="2"> <PDBx:concentration>90</PDBx:concentration> <PDBx:concentration_units>&#37;</PDBx:concentration_units> <PDBx:isotopic_labeling xsi:nil="true" /> </PDBx:pdbx_nmr_exptl_sample> <PDBx:pdbx_nmr_exptl_sample component="D2O" solution_id="2"> <PDBx:concentration>10</PDBx:concentration> <PDBx:concentration_units>&#37;</PDBx:concentration_units> <PDBx:isotopic_labeling xsi:nil="true" /> </PDBx:pdbx_nmr_exptl_sample> </PDBx:pdbx_nmr_exptl_sampleCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_nmr_exptl_sample" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="concentration" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The concentration value of the component. 2.0 2.7 0.01</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="concentration_range" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The concentration range for the component. 2.0-2.2 2.7-3.5 0.01-0.05</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="concentration_units" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The concentration units of the component. mg/mL for mg per milliliter mM for millimolar&#37;for percent by volume</xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
              <xsd:restriction base="xsd:string">
                <xsd:enumeration value="%"/>
                <xsd:enumeration value="mM"/>
                <xsd:enumeration value="mg/mL"/>
                <xsd:enumeration value="nM"/>
                <xsd:enumeration value="pM"/>
                <xsd:enumeration value="M"/>
                <xsd:enumeration value="g/L"/>
                <xsd:enumeration value="ug/mL"/>
                <xsd:enumeration value="mg/L"/>
                <xsd:enumeration value="mg/uL"/>
                <xsd:enumeration value="ug/uL"/>
                <xsd:enumeration value="uM"/>
                <xsd:enumeration value="v/v"/>
                <xsd:enumeration value="w/v"/>
                <xsd:enumeration value="w/w"/>
                <xsd:enumeration value="% w/v"/>
                <xsd:enumeration value="% w/w"/>
                <xsd:enumeration value="% v/v"/>
                <xsd:enumeration value="saturated"/>
                <xsd:enumeration value="na"/>
              </xsd:restriction>
            </xsd:simpleType>
          </xsd:element>
          <xsd:element name="isotopic_labeling" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The isotopic composition of each component, including the&#37;labeling level, if known. For example: 1. Uniform (random) labeling with 15N: U-15N 2. Uniform (random) labeling with 13C, 15N at known labeling levels: U-95&#37;13C;U-98&#37;15N 3. Residue selective labeling: U-95&#37;15N-Thymine 4. Site specific labeling: 95&#37;13C-Ala18, 5. Natural abundance labeling in an otherwise uniformly labled biomolecule is designated by NA: U-13C; NA-K,H U-13C,15N U-2H</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="component" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">The name of each component in the sample ribonuclease DNA strand 1 TRIS buffer sodium chloride H2O D2O</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="solution_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">The name (number) of the sample. 1 2 3</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>