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: 19 May 2015
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:
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/107.
Native dataset, high 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/107/p3.3_4_###.img
Images:
1 - 150
Beam:
(105.0, 103.53) -> (105.0, 103.45)
Distance:
141.32 -> 140.69
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.28 | 3.47 | 1.28 |
| Low resolution limit | 38.34 | 38.36 | 1.3 |
| Completeness | 94.5 | 95.0 | 63.7 |
| Multiplicity | 5.1 | 5.3 | 2.2 |
| I/sigma | 18.6 | 58.1 | 0.8 |
| Rmerge | 0.037 | 0.018 | 1.124 |
| CC half | 0.999 | 0.999 | 0.355 |
| Anomalous completeness | 90.7 | 91.3 | 44.7 |
| Anomalous multiplicity | 2.7 | 2.7 | 2.7 |
| Cell | 51.63 | 76.68 | 83.29 | 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 -> 140.64
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.28 | 3.47 | 1.28 |
| Low resolution limit | 38.34 | 38.36 | 1.3 |
| Completeness | 94.5 | 95.0 | 63.7 |
| Multiplicity | 5.1 | 5.3 | 2.2 |
| I/sigma | 18.6 | 58.1 | 0.8 |
| Rmerge | 0.037 | 0.018 | 1.125 |
| CC half | 0.999 | 0.999 | 0.356 |
| Anomalous completeness | 90.7 | 91.3 | 44.7 |
| Anomalous multiplicity | 2.7 | 2.7 | 2.7 |
| Cell | 51.63 | 76.68 | 83.29 | 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 -> 140.72
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.25 | 3.39 | 1.25 |
| Low resolution limit | 56.5 | 56.56 | 1.27 |
| Completeness | 91.8 | 100.0 | 49.3 |
| Multiplicity | 5.1 | 5.7 | 2.0 |
| I/sigma | 12.2 | 45.5 | 0.3 |
| Rmerge | 0.052 | 0.044 | 1.147 |
| CC half | 0.995 | 0.988 | 0.327 |
| Anomalous completeness | 87.4 | 99.9 | 30.3 |
| Anomalous multiplicity | 2.7 | 2.7 | 2.7 |
| Cell | 51.698 | 76.8 | 83.427 | 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.
