X-Ray Diffraction data from Human thrombin:tsetse thrombin inhibitor complex, source of 6TKJ structure

Data DOI: 10.15785/SBGRID/740 | ID: 740

Publication DOI: 10.1016/j.chembiol.2020.10.002

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

Pereira Laboratory, IBMC/i3S, Universidade do Porto

Release Date: Oct. 27, 2020

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/740

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/740 .' (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/740 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/740 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/740 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 740 ; shasum -c files.sha'

Storage requirements: 14G

Biological Sample:

Human thrombin:tsetse thrombin inhibitor complex

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

ESRF ID23EH1

Data Creation Date:

Sept. 2, 2015

Related Datasets:

None


Cite this Dataset

Calisto, BM; Pereira, PJB. 2020. "X-Ray Diffraction data for: Human thrombin:tsetse thrombin inhibitor complex. PDB Code 6TKJ", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/740.

Download Citation

Dataset Description

X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKJ structure

Project Members

Name Additional Roles Affiliation While Working on the Project
Pedro JB PereiraDepositorIBMC - Instituto de Biologia Molecular e Celular
Barbara M CalistoData CollectorALBA Synchrotron
Pedro PereiraPIUniversidade do Porto

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.7712

Sweep:

SWEEP1

Files:

/programs/datagrid/740/TB_TTI41_w1_1_####.cbf

Images:

1 - 2400

Beam:

(216.73, 209.03) -> (216.73, 208.72)

Distance:

247.98 -> 247.45

Spacegroup:

P 41 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.45 6.65 2.45
Low resolution limit 81.32 81.37 2.49
Completeness 100.0 100.0 98.7
Multiplicity 24.4 21.5 18.8
I/sigma 18.5 54.7 0.6
Rmerge 0.123 0.048 5.593
CC half 0.999 0.999 0.34
Anomalous completeness 99.9 100.0 99.1
Anomalous multiplicity 13.2 13.2 13.2
Cell 115.01 115.01 62.53 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.7712

Sweep:

SWEEP1

Files:

/programs/datagrid/740/TB_TTI41_w1_1_####.cbf

Images:

1 - 2400

Beam:

(216.73, 209.03) -> (216.73, 208.72)

Distance:

247.98 -> 247.37

Spacegroup:

P 41 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.44 6.62 2.44
Low resolution limit 81.32 81.37 2.48
Completeness 100.0 100.0 98.5
Multiplicity 24.3 21.6 18.0
I/sigma 18.3 54.7 0.5
Rmerge 0.124 0.048 6.066
CC half 0.999 0.999 0.334
Anomalous completeness 99.9 100.0 98.9
Anomalous multiplicity 13.2 13.2 13.2
Cell 115.01 115.01 62.53 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.7712

Sweep:

SWEEP1

Files:

/programs/datagrid/740/TB_TTI41_w1_1_####.cbf

Images:

1 - 2400

Beam:

(216.73, 209.03) -> (216.73, 208.72)

Distance:

247.98 -> 247.77

Spacegroup:

P 41 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.38 6.46 2.38
Low resolution limit 114.92 115.06 2.42
Completeness 99.8 100.0 93.7
Multiplicity 22.6 22.7 12.9
I/sigma 7.8 52.5 0.1
Rmerge 0.144 0.061 6.01
CC half 0.998 0.999 0.343
Anomalous completeness 99.5 100.0 94.1
Anomalous multiplicity 12.2 12.2 12.2
Cell 114.96 114.96 62.554 90.0 90.0 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.