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
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
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.
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 |
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.
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: 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.
