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

Data DOI: 10.15785/SBGRID/739 | ID: 739

Publication DOI: 10.1016/j.chembiol.2020.10.002

6TKI 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/739

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/739 .' (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/739 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/739 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/739 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 739 ; shasum -c files.sha'

Storage requirements: 11G

Biological Sample:

Human thrombin:tsetse thrombin inhibitor complex

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

ESRF ID29

Data Creation Date:

May 15, 2014

Related Datasets:

None


Cite this Dataset

Calisto, BM; Pereira, PJB. 2020. "X-Ray Diffraction data for: Human thrombin:tsetse thrombin inhibitor complex. PDB Code 6TKI", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/739.

Download Citation

Dataset Description

X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKI 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 - 0.97625

Sweep:

SWEEP1

Files:

/programs/datagrid/739/TB8_w1_1_####.cbf

Images:

1 - 1800

Beam:

(216.11, 211.76) -> (216.11, 211.64)

Distance:

339.0 -> 341.79

Spacegroup:

P 41 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.71 4.64 1.71
Low resolution limit 38.64 38.65 1.74
Completeness 100.0 100.0 100.0
Multiplicity 12.9 11.9 10.2
I/sigma 15.1 56.3 0.5
Rmerge 0.075 0.032 4.211
CC half 0.999 0.999 0.28
Anomalous completeness 99.9 99.9 99.7
Anomalous multiplicity 6.8 6.8 6.8
Cell 112.65 112.65 60.21 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97625

Sweep:

SWEEP1

Files:

/programs/datagrid/739/TB8_w1_1_####.cbf

Images:

1 - 1800

Beam:

(216.11, 211.76) -> (216.11, 211.65)

Distance:

339.0 -> 341.87

Spacegroup:

P 41 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.71 4.64 1.71
Low resolution limit 60.21 60.25 1.74
Completeness 100.0 100.0 100.0
Multiplicity 12.9 11.9 10.2
I/sigma 15.1 56.2 0.5
Rmerge 0.075 0.032 4.22
CC half 0.999 0.999 0.273
Anomalous completeness 99.9 99.9 99.8
Anomalous multiplicity 6.8 6.8 6.8
Cell 112.65 112.65 60.21 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97625

Sweep:

SWEEP1

Files:

/programs/datagrid/739/TB8_w1_1_####.cbf

Images:

1 - 1800

Beam:

(216.11, 211.76) -> (216.11, 211.63)

Distance:

339.0 -> 342.05

Spacegroup:

P 41 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.68 4.56 1.68
Low resolution limit 79.61 79.7 1.71
Completeness 100.0 100.0 98.4
Multiplicity 11.9 11.6 7.9
I/sigma 6.8 47.3 0.1
Rmerge 0.096 0.041 3.933
CC half 0.999 0.999 0.347
Anomalous completeness 99.8 99.9 97.1
Anomalous multiplicity 6.3 6.3 6.3
Cell 112.675 112.675 60.266 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.