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: 18 May 2021
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:
17 Jun 2018
Related Datasets:
None
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.
native dataset
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Leona Svecova | Data Collector, Depositor | Institute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic |
| Jan Dohnalek | Data Collector | Institute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic |
| Petr Kolenko | Data Collector | Institute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic |
| Tomas Koval | Data Collector | Institute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic |
| Lars H. Oestergaard | Data Collector | Novozymes A/S, Biologiens Vej 2, Kongen. Lyngby, 2800, Denmark |
| Tereza Skalova | Data Collector | Institute of Biotechnology of the Czech Academy of Sciences, Laboratory of Structure and Function of Biomolecules, Prumyslova 595, Vestec 25250, Czech Republic |
| Jan Dohnalek | PI | Institute of Biotechnology of the Czech Academy of Sciences |
none
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: 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.
