X-Ray Diffraction data from CtFDO in complex with 4-oxo-N-[1-(3pyridinyl)ethyl]-2-thiophenebutanamide, source of 6ZE4 structure

Data DOI: 10.15785/SBGRID/806 | ID: 806

6ZE4 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences

Release Date: 18 May 2021

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/806

2. To download this dataset, please run the following command from your Terminal on a Linux or OS X workstation:

'rsync -av rsync://data.sbgrid.org/10.15785/SBGRID/806 .' (Harvard Medical School, USA)

Depending on your location, faster access may be available from a Tier 1 site closer to your location

'rsync -av rsync://sbgrid.icm.uu.se/10.15785/SBGRID/806 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/806 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/806 .' (Shanghai Institutes for Biological Sciences, China)

3. After the transfer is completed, please issue the following command to verify data integrity:

'cd 806 ; shasum -c files.sha'

Storage requirements: 13G

Biological Sample:

CtFDO in complex with 4-oxo-N-[1-(3pyridinyl)ethyl]-2-thiophenebutanamide

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Beamline 14.1, Bessy II, Helmholz Zentrum, Berlin, Germany

Data Creation Date:

17 May 2018

Related Datasets:

None


Cite this Dataset

Svecova, L; Kolenko, P; Koval, T; Oestergaard, LH.; Skalova, T; Dohnalek, J. 2021. "X-Ray Diffraction data for: CtFDO in complex with 4-oxo-N-[1-(3pyridinyl)ethyl]-2-thiophenebutanamide. PDB Code 6ZE4", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/806.

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Dataset Description

native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Leona SvecovaData Collector, DepositorInstitute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic
Jan DohnalekData CollectorInstitute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic
Petr KolenkoData CollectorInstitute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic
Tomas KovalData CollectorInstitute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic
Lars H. OestergaardData CollectorNovozymes A/S, Biologiens Vej 2, Kongen. Lyngby, 2800, Denmark
Tereza SkalovaData CollectorInstitute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic
Jan DohnalekPIInstitute of Biotechnology of the Czech Academy of Sciences

Reprocessing Instructions

Regions 1.91-1.93A, 2.23-2.27A, 3.64-3.70A on the detector were omitted due to ice rings. Images 350-1000 and 2150-2200 were excluded.

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9184

Sweep:

SWEEP1

Files:

/programs/datagrid/806/o8_1_####.cbf

Images:

1 - 2200

Beam:

(216.69, 213.5) -> (216.69, 213.45)

Distance:

266.58 -> 266.14

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.45 3.93 1.45
Low resolution limit 39.88 39.89 1.48
Completeness 98.6 99.2 98.3
Multiplicity 8.0 7.5 8.3
I/sigma 7.8 26.7 0.9
Rmerge 0.127 0.042 2.198
CC half 0.997 0.998 0.305
Anomalous completeness 97.2 96.5 97.5
Anomalous multiplicity 4.2 4.2 4.2
Cell 93.54 109.82 116.01 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9184

Sweep:

SWEEP1

Files:

/programs/datagrid/806/o8_1_####.cbf

Images:

1 - 2200

Beam:

(216.69, 213.5) -> (216.69, 213.44)

Distance:

266.58 -> 265.72

Spacegroup:

P 21 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.55 4.21 1.55
Low resolution limit 57.28 57.32 1.58
Completeness 98.0 98.7 94.8
Multiplicity 6.7 7.0 5.0
I/sigma 1.9 4.1 0.3
Rmerge 0.366 0.237 2.228
CC half 0.951 0.953 0.352
Anomalous completeness 96.3 95.4 90.2
Anomalous multiplicity 3.5 3.5 3.5
Cell 109.73 116.0 57.28 90.0 90.0 90.0

Version:

version unreported

Reprocessing failed.


License and Terms of use

License: CC0

Terms: Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation, as generated by the SBGrid Data Bank.