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- EMDB-24079: MicroED Structure of Carbamazepine -

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Basic information

Entry
Database: EMDB / ID: EMD-24079
TitleMicroED Structure of Carbamazepine
Map data
Sample
  • Complex: Carbamazepine
Biological speciessynthetic construct (others)
Methodelectron crystallography / Resolution: 0.6 Å
AuthorsPowell SM / Novikova IV / Evans JE
Funding support United States, 1 items
OrganizationGrant numberCountry
Department of Energy (DOE, United States)FWP 74915 United States
CitationJournal: To be Published
Title: MicroED Structure of Carbamazepine
Authors: Powell SM / Novikova IV / Evans JE
History
DepositionMay 20, 2021-
Header (metadata) releaseDec 7, 2022-
Map releaseDec 7, 2022-
UpdateDec 7, 2022-
Current statusDec 7, 2022Processing site: RCSB / Status: Released

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Structure visualization

Supplemental images

emd_24079.png

Downloads & links

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Map

FileDownload / File: emd_24079.map.gz / Format: CCP4 / Size: 4.7 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Projections & slices

Image control

Size
Brightness
Contrast
Others
AxesZ (Sec.)X (Row.)Y (Col.)
0.19 Å/pix.
x 107 pix.
= 19.875 Å		0.19 Å/pix.
x 109 pix.
= 20.247 Å		0.19 Å/pix.
x 105 pix.
= 19.504 Å

Surface

Projections

Slices (1/3)

Slices (1/2)

Slices (2/3)

Images are generated by Spider.

generated in cubic-lattice coordinate

Voxel sizeX=Y=Z: 0.18575 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 1.5
Minimum - Maximum-2.4571695 - 15.773052
Average (Standard dev.)0.0031001668 (±1.1451273)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderYXZ
Origin-21-15-6
Dimensions109105107
Spacing109105107
CellA: 20.24675 Å / B: 19.50375 Å / C: 19.87525 Å
α: 90.0 ° / β: 92.913 ° / γ: 90.0 °

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Supplemental data

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Sample components

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Entire : Carbamazepine

EntireName: Carbamazepine
Components
  • Complex: Carbamazepine

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Supramolecule #1: Carbamazepine

SupramoleculeName: Carbamazepine / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1
Source (natural)Organism: synthetic construct (others)

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Experimental details

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Structure determination

Processingelectron crystallography
Aggregation state3D array

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Sample preparation

BufferpH: 0.01 / Component - Name: Powder / Details: Powder

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Electron microscopy

MicroscopeFEI TITAN KRIOS
Image recordingFilm or detector model: FEI CETA (4k x 4k) / Number real images: 216 / Average exposure time: 0.6 sec. / Average electron dose: 0.008 e/Å2 / Details: 1.73 e/A^2 total dose
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: OTHER / Imaging mode: DIFFRACTION / Cs: 2.7 mm / Camera length: 751 mm
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

Final reconstructionResolution.type: BY AUTHOR / Resolution: 0.6 Å / Resolution method: DIFFRACTION PATTERN/LAYERLINES
Crystallography statisticsNumber intensities measured: 46506 / Number structure factors: 5343 / Fourier space coverage: 98.3 / R merge: 0.2345 / Overall phase residual: 0 / Phase error rejection criteria: 0 / High resolution: 0.6 Å

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Atomic model buiding 1

RefinementProtocol: OTHER

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