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- EMDB-9284: MicroED map of carbamazepine at 1.0 A resolution -

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Basic information

Database: EMDB / ID: 9284
TitleMicroED map of carbamazepine at 1.0 A resolution
Map data2Fo-Fc map of carbamazepine
Sourcesynthetic construct (others)
Methodelectron crystallography / cryo EM
AuthorsJones CG / Martynowycz MW / Hattne J / Fulton T / Stoltz BM / Rodriguez JA / Nelson HM / Gonen T
CitationJournal: ACS Cent Sci / Year: 2018
Title: The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
Authors: Christopher G Jones / Michael W Martynowycz / Johan Hattne / Tyler J Fulton / Brian M Stoltz / Jose A Rodriguez / Hosea M Nelson / Tamir Gonen
DateDeposition: Oct 30, 2018 / Header (metadata) release: Nov 7, 2018 / Map release: Nov 21, 2018 / Last update: Jan 2, 2019

Structure visualization

  • Surface view with section colored by density value
  • Surface level: 0.697245
  • Imaged by UCSF Chimera
  • Download
  • Surface view colored by radius
  • Surface level: 0.697245
  • Imaged by UCSF Chimera
  • Download
Movie viewer
Structure viewerEM map:
Supplemental images

Downloads & links


Fileemd_9284.map.gz (map file in CCP4 format, 47 KB)
Projections & slices

Image control

AxesY (Sec.)X (Row.)Z (Col.)
10 pix
0.31 Å/pix.
= 11.04 Å
24 pix
0.31 Å/pix.
= 7.46 Å
48 pix
0.29 Å/pix.
= 13.76 Å



Slices (1/3)

Slices (1/2)

Slices (2/3)

Images are generated by Spider.

(generated in cubic-lattice coordinate)

Voxel sizeX: 0.31083 Å / Y: 0.30667 Å / Z: 0.28667 Å
Contour Level:0.697245 (by author), 0.697245 (movie #1):
Minimum - Maximum-0.8069799 - 2.6355574
Average (Standard dev.)-0.006327253 (0.46483147)


Space Group Number14
Map Geometry
Axis orderZXY
CellA: 7.46 Å / B: 11.04 Å / C: 13.76 Å
α: 90.0 deg. / β: 92.606 deg. / γ: 90.0 deg.

CCP4 map header:

modeImage stored as Reals
Å/pix. X/Y/Z0.310833333333330.306666666666670.28666666666667
M x/y/z243648
origin x/y/z0.0000.0000.000
length x/y/z7.46011.04013.760
start NX/NY/NZ000
MAP C/R/S312
start NC/NR/NS000
D min/max/mean-0.8072.636-0.006

Supplemental data

Sample components

Entire Carbamazepine

EntireName: Carbamazepine / Number of components: 1

Component #1: cellular-component, Carbamazepine

Cellular-componentName: Carbamazepine / Recombinant expression: No
MassTheoretical: 0.222178 kDa
SourceSpecies: synthetic construct (others)

Experimental details

Sample preparation

SpecimenSpecimen state: 3D array / Method: cryo EM
Crystal parametersSpace group: P 21/n / A: 7.46 Å / B: 11.04 Å / C: 13.76 Å / Alpha: 90 deg. / Beta: 92.61 deg. / Gamma: 90 deg.
Crystal grow detailsPowder
Sample solutionSpecimen conc.: 1 mg/ml / Buffer solution: Powder / pH: 7
VitrificationCryogen name: NITROGEN / Temperature: 298 K / Humidity: 100 % / Details: Hand-plunged.

Electron microscopy imaging

Experimental equipment
Model: Talos Arctica / Image courtesy: FEI Company
ImagingMicroscope: FEI TALOS ARCTICA
Electron gunElectron source: FIELD EMISSION GUN / Accelerating voltage: 200 kV / Electron dose: 0.09 e/Å2 / Illumination mode: FLOOD BEAM
LensImaging mode: DIFFRACTION
CameraDetector: FEI CETA (4k x 4k)

Image acquisition

Image acquisitionSampling size: 28 microns / Details: FEI CetaD

Image processing

ProcessingMethod: electron crystallography
3D reconstructionResolution method: DIFFRACTION PATTERN/LAYERLINES

Atomic model buiding

Modeling #1Refinement space: RECIPROCAL

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