X-Ray Diffraction data from Human thrombin complexed with D-Phe-Pro-D-Arg-Cys, source of 3U8T structure

Data DOI: 10.15785/SBGRID/106 | ID: 106

Publication DOI: 10.1371/journal.pone.0034354

3U8T 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/106

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/106 .' (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/106 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/106 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/106 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 106 ; shasum -c files.sha'

Storage requirements: 1.2G

Biological Sample:

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

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

ESRF beamline ID14-1

Data Creation Date:

Nov. 14, 2009

Related Datasets:

None


Cite this Dataset

Pereira, PJB. 2015. "X-Ray Diffraction data for: Human thrombin complexed with D-Phe-Pro-D-Arg-Cys. PDB Code 3U8T", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/106.

Download Citation

Dataset Description

Native dataset

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/106/p4.2_2_###.img

Images:

1 - 150

Beam:

(105.02, 103.55) -> (105.02, 103.58)

Distance:

191.13 -> 190.26

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.54 4.18 1.54
Low resolution limit 51.81 51.84 1.57
Completeness 90.8 99.6 46.5
Multiplicity 4.6 5.2 1.9
I/sigma 12.0 22.2 1.1
Rmerge 0.08 0.06 0.526
CC half 0.996 0.993 0.431
Anomalous completeness 82.9 99.5 25.4
Anomalous multiplicity 2.5 2.5 2.5
Cell 51.807 77.128 83.475 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/106/p4.2_2_###.img

Images:

1 - 150

Beam:

(105.02, 103.55) -> (105.02, 103.52)

Distance:

191.13 -> 190.52

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.56 4.23 1.56
Low resolution limit 36.72 36.73 1.59
Completeness 93.5 99.5 57.5
Multiplicity 4.9 5.5 2.1
I/sigma 16.2 40.0 1.2
Rmerge 0.049 0.033 0.577
CC half 0.999 0.998 0.574
Anomalous completeness 86.1 97.7 34.4
Anomalous multiplicity 2.7 2.7 2.7
Cell 51.88 77.23 83.49 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/106/p4.2_2_###.img

Images:

1 - 150

Beam:

(105.02, 103.55) -> (105.02, 103.49)

Distance:

191.13 -> 190.72

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.55 4.21 1.55
Low resolution limit 51.88 51.91 1.58
Completeness 92.7 99.4 53.4
Multiplicity 4.9 5.5 2.0
I/sigma 16.0 39.3 1.1
Rmerge 0.05 0.034 0.609
CC half 0.998 0.998 0.469
Anomalous completeness 85.0 97.7 31.2
Anomalous multiplicity 2.7 2.7 2.7
Cell 51.88 77.22 83.48 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/106/p4.2_2_###.img

Images:

1 - 150

Beam:

(105.02, 103.55) -> (105.02, 103.49)

Distance:

191.13 -> 190.96

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.54 4.18 1.54
Low resolution limit 38.69 38.7 1.57
Completeness 79.2 99.6 0.6
Multiplicity 5.0 5.5 1.0
I/sigma 11.3 22.9 0.8
Rmerge 0.066 0.044 0.0
CC half 0.998 0.997 0.0
Anomalous completeness 71.8 99.7 0.0
Anomalous multiplicity 2.7 2.7 2.7
Cell 52.011 77.382 83.673 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.