[English] 日本語
Yorodumi
- PDB-7edv: DNA duplex containing C-G-Au-C base triple -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 7edv
TitleDNA duplex containing C-G-Au-C base triple
ComponentsDNA (5'-D(*GP*GP*AP*CP*CP*CP*CP*GP*GP*TP*CP*C)-3')
KeywordsDNA / Metal-mediated base pair / Gold
Function / homology: / DNA / DNA (> 10)
Function and homology information
Biological speciessynthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.01 Å
AuthorsKondo, J. / Iwase, E.
Funding support Japan, 1items
OrganizationGrant numberCountry
Ministry of Education, Culture, Sports, Science and Technology (Japan)24245037 Japan
CitationJournal: To Be Published
Title: DNA duplex containing C-G-Au-C base triple
Authors: Kondo, J. / Iwase, E.
History
DepositionMar 17, 2021Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Mar 23, 2022Provider: repository / Type: Initial release
Revision 1.1May 29, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

-
Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

-
Assembly

Deposited unit
A: DNA (5'-D(*GP*GP*AP*CP*CP*CP*CP*GP*GP*TP*CP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)3,8212
Polymers3,6241
Non-polymers1971
Water66737
1
A: DNA (5'-D(*GP*GP*AP*CP*CP*CP*CP*GP*GP*TP*CP*C)-3')
hetero molecules

A: DNA (5'-D(*GP*GP*AP*CP*CP*CP*CP*GP*GP*TP*CP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)7,6434
Polymers7,2492
Non-polymers3942
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation6_553-x,-x+y,-z-5/31
Buried area1430 Å2
ΔGint-14 kcal/mol
Surface area4210 Å2
MethodPISA
Unit cell
Length a, b, c (Å)38.595, 38.595, 46.688
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Components on special symmetry positions
IDModelComponents
11A-229-

HOH

-
Components

#1: DNA chain DNA (5'-D(*GP*GP*AP*CP*CP*CP*CP*GP*GP*TP*CP*C)-3')


Mass: 3624.356 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#2: Chemical ChemComp-AU / GOLD ION


Mass: 196.967 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Au / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 37 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

CrystalDensity Matthews: 2.77 Å3/Da / Density % sol: 55.59 %
Description: THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS.
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: sodium cacodylate, MPD, spermine tetrahydrochloride, lithium chloride

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-17A / Wavelength: 0.98 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Dec 3, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 2.01→27.18 Å / Num. obs: 5183 / % possible obs: 100 % / Redundancy: 10.203 % / Biso Wilson estimate: 36.998 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.054 / Rrim(I) all: 0.057 / Χ2: 2.227 / Net I/σ(I): 27.74 / Num. measured all: 52884
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rrim(I) all% possible all
2.01-2.0610.1550.299.13540.980.306100
2.06-2.1210.1060.2510.973770.980.264100
2.12-2.1810.4440.18413.753740.990.193100
2.18-2.2510.430.14715.333700.9950.154100
2.25-2.329.5710.12917.063360.9940.136100
2.32-2.410.0860.10120.283370.9960.106100
2.4-2.4910.6990.08324.463060.9980.088100
2.49-2.5911.0550.07329.13070.9970.076100
2.59-2.7110.7990.07230.222930.9980.076100
2.71-2.8410.7790.06431.422810.9980.067100
2.84-2.9910.5290.0637.32800.9980.063100
2.99-3.1810.0570.04838.222640.9990.05100
3.18-3.399.0570.04640.882290.9990.049100
3.39-3.679.2380.04942.422100.9990.051100
3.67-4.0210.1050.04745.462100.9990.049100
4.02-4.4910.550.04247.731890.9980.044100
4.49-5.199.4970.04544.961610.9990.047100
5.19-6.359.2360.04345.441400.9990.045100
6.35-8.989.8290.04746.951050.9990.05100
8.98-27.1810.850.03350.926010.03596.8

-
Processing

Software
NameVersionClassification
XSCALEdata scaling
PHENIX1.17.1refinement
XDSdata reduction
AutoSolphasing
RefinementMethod to determine structure: SAD / Resolution: 2.01→27.18 Å / SU ML: 0.17 / Cross valid method: THROUGHOUT / σ(F): 1.45 / Phase error: 20.63 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.191 538 10.38 %
Rwork0.1644 4645 -
obs0.1672 5183 99.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 49.79 Å2 / Biso mean: 27.4125 Å2 / Biso min: 18.36 Å2
Refinement stepCycle: final / Resolution: 2.01→27.18 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms0 240 1 37 278
Biso mean--24.96 34.09 -
Num. residues----12
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 4

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.01-2.210.25611320.21831154128699
2.21-2.530.21951300.189511591289100
2.53-3.180.23731380.184511661304100
3.19-27.180.14961380.13711661304100

+
About Yorodumi

-
News

-
Feb 9, 2022. New format data for meta-information of EMDB entries

New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
  • The previous official version 1.9 will be removed from the archive.

Related info.:EMDB header

External links:wwPDB to switch to version 3 of the EMDB data model

-
Aug 12, 2020. Covid-19 info

Covid-19 info

URL: https://pdbj.org/emnavi/covid19.php

New page: Covid-19 featured information page in EM Navigator.

Related info.:Covid-19 info / Mar 5, 2020. Novel coronavirus structure data

+
Mar 5, 2020. Novel coronavirus structure data

Novel coronavirus structure data

Related info.:Yorodumi Speices / Aug 12, 2020. Covid-19 info

External links:COVID-19 featured content - PDBj / Molecule of the Month (242)：Coronavirus Proteases

+
Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

EMDB accession codes are about to change! (news from PDBe EMDB page)

  • The allocation of 4 digits for EMDB accession codes will soon come to an end. Whilst these codes will remain in use, new EMDB accession codes will include an additional digit and will expand incrementally as the available range of codes is exhausted. The current 4-digit format prefixed with “EMD-” (i.e. EMD-XXXX) will advance to a 5-digit format (i.e. EMD-XXXXX), and so on. It is currently estimated that the 4-digit codes will be depleted around Spring 2019, at which point the 5-digit format will come into force.
  • The EM Navigator/Yorodumi systems omit the EMD- prefix.

Related info.:Q: What is EMD? / ID/Accession-code notation in Yorodumi/EM Navigator

External links:EMDB Accession Codes are Changing Soon! / Contact to PDBj

+
Jul 12, 2017. Major update of PDB

Major update of PDB

  • wwPDB released updated PDB data conforming to the new PDBx/mmCIF dictionary.
  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

-
Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

Read more