X-Ray Diffraction data from Human thrombin complexed with D-Phe-Pro-D-Arg-Ile, source of 3U8R structure

Data DOI: 10.15785/SBGRID/109 | ID: 109

Publication DOI: 10.1371/journal.pone.0034354

3U8R Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Pereira Laboratory, IBMC/i3S, Universidade do Porto

Release Date: 19 May 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/109

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/109 .' (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/109 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/109 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/109 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 109 ; shasum -c files.sha'

Storage requirements: 1.2G

Biological Sample:

Human thrombin complexed with D-Phe-Pro-D-Arg-Ile

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

ESRF beamline ID14-1

Data Creation Date:

14 Nov 2009

Related Datasets:

108, 107


Cite this Dataset

Pereira, PJB. 2015. "X-Ray Diffraction data for: Human thrombin complexed with D-Phe-Pro-D-Arg-Ile. PDB Code 3U8R", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/109.

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Dataset Description

Native dataset, low resolution pass

Project Members

Name Additional Roles Affiliation While Working on the Project
Pedro JB PereiraData Collector, DepositorIBMC - Instituto de Biologia Molecular e Celular, Porto, Portugal
Pedro PereiraPIUniversidade do Porto

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9334

Sweep:

SWEEP1

Files:

/programs/datagrid/109/p3.3_3_###.img

Images:

1 - 150

Beam:

(105.04, 103.59) -> (105.04, 103.55)

Distance:

297.52 -> 296.4

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.03 5.52 2.03
Low resolution limit 43.89 43.9 2.07
Completeness 75.9 100.0 7.2
Multiplicity 4.5 5.4 1.3
I/sigma 36.2 59.3 3.8
Rmerge 0.021 0.016 0.182
CC half 1.0 1.0 0.945
Anomalous completeness 70.2 98.9 1.9
Anomalous multiplicity 2.5 2.5 2.5
Cell 51.64 76.64 83.3 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9334

Sweep:

SWEEP1

Files:

/programs/datagrid/109/p3.3_3_###.img

Images:

1 - 150

Beam:

(105.04, 103.59) -> (105.04, 103.54)

Distance:

297.52 -> 296.07

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.03 5.52 2.03
Low resolution limit 43.89 43.9 2.07
Completeness 75.9 100.0 7.2
Multiplicity 4.5 5.4 1.3
I/sigma 36.2 59.3 3.8
Rmerge 0.021 0.016 0.181
CC half 1.0 1.0 0.947
Anomalous completeness 70.2 98.9 1.9
Anomalous multiplicity 2.5 2.5 2.5
Cell 51.64 76.64 83.3 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9334

Sweep:

SWEEP1

Files:

/programs/datagrid/109/p3.3_3_###.img

Images:

1 - 150

Beam:

(105.04, 103.59) -> (105.04, 103.55)

Distance:

297.52 -> 296.78

Spacegroup:

P 2 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.52 6.84 2.52
Low resolution limit 56.53 56.55 2.56
Completeness 99.3 100.0 90.3
Multiplicity 5.3 5.2 3.2
I/sigma 51.5 71.6 37.9
Rmerge 0.051 0.025 0.278
CC half 0.982 0.997 0.294
Anomalous completeness 98.8 100.0 92.7
Anomalous multiplicity 2.9 2.9 2.9
Cell 51.741 76.82 83.5 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.