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

Data DOI: 10.15785/SBGRID/107 | ID: 107

Publication DOI: 10.1371/journal.pone.0034354

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

Pereira Laboratory, IBMC/i3S, Universidade do Porto

Release Date: May 19, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/107

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/107 .' (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/107 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/107 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/107 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 107 ; 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:

Nov. 14, 2009

Related Datasets:

108, 109


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/107.

Download Citation

Dataset Description

Native dataset, high 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/107/p3.3_4_###.img

Images:

1 - 150

Beam:

(105.0, 103.53) -> (105.0, 103.52)

Distance:

141.32 -> 140.46

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.28 3.47 1.28
Low resolution limit 38.29 38.3 1.3
Completeness 94.0 95.2 61.5
Multiplicity 5.0 5.3 2.1
I/sigma 14.8 41.0 1.2
Rmerge 0.055 0.035 0.765
CC half 0.998 0.997 0.317
Anomalous completeness 90.1 92.8 41.7
Anomalous multiplicity 2.6 2.6 2.6
Cell 51.572 76.575 83.273 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/107/p3.3_4_###.img

Images:

1 - 150

Beam:

(105.0, 103.53) -> (105.0, 103.45)

Distance:

141.32 -> 140.7

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.31 3.55 1.31
Low resolution limit 38.34 38.36 1.33
Completeness 96.5 94.7 73.3
Multiplicity 5.3 5.3 2.5
I/sigma 19.4 57.8 1.0
Rmerge 0.037 0.018 0.808
CC half 0.999 0.999 0.43
Anomalous completeness 93.8 91.0 59.4
Anomalous multiplicity 2.8 2.8 2.8
Cell 51.63 76.68 83.29 90.0 90.0 90.0

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9334

Sweep:

SWEEP1

Files:

/programs/datagrid/107/p3.3_4_###.img

Images:

1 - 150

Beam:

(105.0, 103.53) -> (105.0, 103.45)

Distance:

141.32 -> 140.74

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.3 3.53 1.3
Low resolution limit 36.64 36.65 1.32
Completeness 95.4 95.1 67.0
Multiplicity 5.2 5.4 2.3
I/sigma 16.2 49.3 1.0
Rmerge 0.044 0.023 0.718
CC half 0.999 0.998 0.539
Anomalous completeness 92.7 92.9 50.1
Anomalous multiplicity 2.7 2.7 2.7
Cell 51.678 76.762 83.385 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.