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

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: Oct. 27, 2020

Data Access Instructions

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:

Oct. 20, 2017

Related Datasets:

None


Cite this Dataset

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.

Download Citation

Dataset Description

X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKL 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 - 1.03324

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 -> 196.16

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 55.3 0.7
Rmerge 0.036 0.019 2.181
CC half 1.0 0.999 0.354
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, 212.43)

Distance:

196.64 -> 196.37

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.31 3.56 1.31
Low resolution limit 59.12 59.18 1.33
Completeness 99.9 99.9 100.0
Multiplicity 6.3 5.9 6.3
I/sigma 15.8 54.6 0.6
Rmerge 0.04 0.02 2.355
CC half 1.0 0.999 0.319
Anomalous completeness 98.8 96.6 99.0
Anomalous multiplicity 3.3 3.3 3.3
Cell 46.88 81.25 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 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.26 3.42 1.26
Low resolution limit 59.14 59.2 1.28
Completeness 100.0 100.0 99.3
Multiplicity 5.9 6.0 4.7
I/sigma 8.3 79.1 0.1
Rmerge 0.049 0.025 1.828
CC half 0.998 0.997 0.339
Anomalous completeness 98.8 99.8 94.9
Anomalous multiplicity 3.1 3.1 3.1
Cell 46.884 81.287 86.227 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.