X-Ray Diffraction data from CtFDO in complex with 2-(1H-indol-3-yl)-N[(1-methyl-1H-pyrrol-2-yl)-methyl]ethan-amine, source of 6ZE5 structure

Data DOI: 10.15785/SBGRID/807 | ID: 807

6ZE5 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

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

Release Date: May 18, 2021

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/807

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/807 .' (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/807 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/807 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/807 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 807 ; shasum -c files.sha'

Storage requirements: 21G

Biological Sample:

CtFDO in complex with 2-(1H-indol-3-yl)-N[(1-methyl-1H-pyrrol-2-yl)-methyl]ethan-amine

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Beamline P13, Petra III, Desy, Hamburg, Germany

Data Creation Date:

June 17, 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 2-(1H-indol-3-yl)-N[(1-methyl-1H-pyrrol-2-yl)-methyl]ethan-amine. PDB Code 6ZE5", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/807.

Download Citation

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

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97626

Sweep:

SWEEP1

Files:

/programs/datagrid/807/q17_go_1_#####.cbf

Images:

1 - 3600

Beam:

(215.9, 210.31) -> (215.9, 210.23)

Distance:

343.72 -> 345.29

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.69 4.59 1.69
Low resolution limit 51.64 51.67 1.72
Completeness 98.6 99.2 87.4
Multiplicity 3.3 3.3 2.7
I/sigma 8.4 29.1 0.6
Rmerge 0.072 0.026 1.331
CC half 0.997 0.997 0.327
Anomalous completeness 87.1 88.8 64.1
Anomalous multiplicity 1.8 1.8 1.8
Cell 46.99 117.01 109.89 90.0 90.74 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97626

Sweep:

SWEEP1

Files:

/programs/datagrid/807/q17_go_1_#####.cbf

Images:

1 - 3600

Beam:

(215.9, 210.31) -> (215.9, 210.25)

Distance:

343.72 -> 344.18

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.69 4.59 1.69
Low resolution limit 51.64 51.67 1.72
Completeness 98.6 99.2 87.4
Multiplicity 3.3 3.3 2.7
I/sigma 8.4 29.1 0.6
Rmerge 0.073 0.026 1.351
CC half 0.997 0.997 0.328
Anomalous completeness 87.1 88.6 64.0
Anomalous multiplicity 1.8 1.8 1.8
Cell 46.99 117.01 109.89 90.0 90.74 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97626

Sweep:

SWEEP1

Files:

/programs/datagrid/807/q17_go_1_#####.cbf

Images:

1 - 3600

Beam:

(215.9, 210.31) -> (215.9, 210.25)

Distance:

343.72 -> 343.95

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.54 4.18 1.54
Low resolution limit 80.23 80.34 1.57
Completeness 90.0 99.8 47.4
Multiplicity 3.2 3.4 2.1
I/sigma 11.4 51.0 0.5
Rmerge 0.081 0.056 1.084
CC half 0.872 0.65 0.329
Anomalous completeness 77.4 93.8 28.9
Anomalous multiplicity 1.7 1.7 1.7
Cell 47.038 117.191 110.082 90.0 89.24 90.0

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.