X-Ray Diffraction data from Unliganded wild-type human thrombin, source of 3U69 structure

Data DOI: 10.15785/SBGRID/101 | ID: 101

Publication DOI: 10.1371/journal.pone.0034354

3U69 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/101

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/101 .' (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/101 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/101 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/101 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 101 ; shasum -c files.sha'

Storage requirements: 1.5G

Biological Sample:

Unliganded wild-type human thrombin

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

ESRF beamline ID14-1

Data Creation Date:

June 29, 2009

Related Datasets:

102


Cite this Dataset

Pereira, PJB. 2015. "X-Ray Diffraction data for: Unliganded wild-type human thrombin. PDB Code 3U69", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/101.

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/101/tc1e_1_###.img

Images:

1 - 180

Beam:

(104.92, 103.61) -> (104.92, 103.54)

Distance:

141.36 -> 141.1

Spacegroup:

P 21 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.31 3.55 1.31
Low resolution limit 36.49 36.51 1.33
Completeness 83.4 97.6 33.6
Multiplicity 7.3 6.8 6.2
I/sigma 16.5 49.1 1.2
Rmerge 0.061 0.029 1.404
CC half 0.999 0.998 0.334
Anomalous completeness 83.2 98.2 33.2
Anomalous multiplicity 3.8 3.8 3.8
Cell 57.551 72.988 83.029 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/101/tc1e_1_###.img

Images:

1 - 180

Beam:

(104.92, 103.61) -> (104.92, 103.47)

Distance:

141.36 -> 141.35

Spacegroup:

P 21 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.34 3.64 1.34
Low resolution limit 33.45 33.46 1.36
Completeness 87.1 97.3 41.6
Multiplicity 7.4 6.7 6.6
I/sigma 19.1 56.3 1.2
Rmerge 0.049 0.021 1.329
CC half 0.999 0.999 0.383
Anomalous completeness 86.9 97.3 41.4
Anomalous multiplicity 3.8 3.8 3.8
Cell 57.62 73.07 83.11 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/101/tc1e_1_###.img

Images:

1 - 180

Beam:

(104.92, 103.61) -> (104.92, 103.47)

Distance:

141.36 -> 141.28

Spacegroup:

P 21 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.34 3.64 1.34
Low resolution limit 33.45 33.46 1.36
Completeness 87.1 97.3 41.6
Multiplicity 7.4 6.7 6.6
I/sigma 19.1 56.3 1.2
Rmerge 0.049 0.021 1.33
CC half 0.999 0.999 0.385
Anomalous completeness 86.9 97.3 41.4
Anomalous multiplicity 3.8 3.8 3.8
Cell 57.62 73.07 83.11 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/101/tc1e_1_###.img

Images:

1 - 180

Beam:

(104.92, 103.61) -> (104.92, 103.48)

Distance:

141.36 -> 141.51

Spacegroup:

P 21 21 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.39 3.77 1.39
Low resolution limit 57.75 57.8 1.41
Completeness 82.0 97.6 11.8
Multiplicity 6.7 6.8 1.4
I/sigma 19.4 52.7 0.4
Rmerge 0.047 0.027 2.097
CC half 0.999 0.998 0.275
Anomalous completeness 77.9 98.0 2.7
Anomalous multiplicity 3.6 3.6 3.6
Cell 57.754 73.244 83.292 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.