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
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:
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.
Native dataset, low resolution pass
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Pedro JB Pereira | Data Collector, Depositor | IBMC - Instituto de Biologia Molecular e Celular, Porto, Portugal |
| Pedro Pereira | PI | Universidade do Porto |
none
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: 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.
