Data DOI: 10.15785/SBGRID/741 | ID: 741
Publication DOI: 10.1016/j.chembiol.2020.10.002
6TKL Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Pereira Laboratory, IBMC/i3S, Universidade do Porto
Release Date: 27 Oct 2020
1. If this dataset is locally available, it should be accessable at /programs/datagrid/741
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/741 .' (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/741 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/741 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/741 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 741 ; shasum -c files.sha'
Storage requirements: 7.0G
Biological Sample:
Human thrombin:tsetse thrombin inhibitor complex
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
ALBA BL13 XALOC
Data Creation Date:
20 Oct 2017
Related Datasets:
None
Calisto, BM; Pereira, PJB. 2020. "X-Ray Diffraction data for: Human thrombin:tsetse thrombin inhibitor complex. PDB Code 6TKL", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/741.
X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKL structure
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Pedro JB Pereira | Depositor | IBMC - Instituto de Biologia Molecular e Celular |
| Barbara M Calisto | Data Collector | ALBA Synchrotron |
| Pedro Pereira | PI | Universidade do Porto |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.03324
Sweep:
SWEEP1
Files:
/programs/datagrid/741/TB_TTI3_D_2_####.cbf
Images:
1 - 1200
Beam:
(224.95, 212.35) -> (224.95, 212.34)
Distance:
196.64 -> 196.3
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.3 | 3.53 | 1.3 |
| Low resolution limit | 30.7 | 30.71 | 1.32 |
| Completeness | 99.9 | 99.9 | 100.0 |
| Multiplicity | 6.4 | 5.9 | 6.3 |
| I/sigma | 16.3 | 55.4 | 0.7 |
| Rmerge | 0.036 | 0.019 | 2.183 |
| CC half | 1.0 | 0.999 | 0.356 |
| Anomalous completeness | 98.9 | 97.2 | 98.9 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 46.88 | 81.23 | 86.18 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.03324
Sweep:
SWEEP1
Files:
/programs/datagrid/741/TB_TTI3_D_2_####.cbf
Images:
1 - 1200
Beam:
(224.95, 212.35) -> (224.95, 212.34)
Distance:
196.64 -> 196.29
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.3 | 3.53 | 1.3 |
| Low resolution limit | 46.88 | 46.91 | 1.32 |
| Completeness | 99.9 | 99.9 | 100.0 |
| Multiplicity | 6.4 | 5.9 | 6.3 |
| I/sigma | 16.3 | 55.2 | 0.7 |
| Rmerge | 0.036 | 0.019 | 2.18 |
| CC half | 1.0 | 0.999 | 0.353 |
| Anomalous completeness | 98.9 | 97.1 | 99.0 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 46.88 | 81.23 | 86.18 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.03324
Sweep:
SWEEP1
Files:
/programs/datagrid/741/TB_TTI3_D_2_####.cbf
Images:
1 - 1200
Beam:
(224.95, 212.35) -> (224.95, 212.35)
Distance:
196.64 -> 196.5
Spacegroup:
P 2 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.25 | 3.39 | 1.25 |
| Low resolution limit | 59.15 | 59.21 | 1.27 |
| Completeness | 99.9 | 100.0 | 97.5 |
| Multiplicity | 6.3 | 6.2 | 5.1 |
| I/sigma | 11.4 | 74.9 | 0.2 |
| Rmerge | 0.046 | 0.025 | 2.163 |
| CC half | 0.999 | 0.997 | 0.387 |
| Anomalous completeness | 99.2 | 99.9 | 95.0 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 46.883 | 81.286 | 86.228 | 90.0 | 90.0 | 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.
