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: 19 May 2015
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:
14 Nov 2009
Related Datasets:
None
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.
Native dataset
| 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/106/p4.2_2_###.img
Images:
1 - 150
Beam:
(105.02, 103.55) -> (105.02, 103.53)
Distance:
191.13 -> 190.58
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.49 | 4.04 | 1.49 |
| Low resolution limit | 36.72 | 36.73 | 1.52 |
| Completeness | 86.7 | 99.5 | 31.3 |
| Multiplicity | 4.7 | 5.5 | 1.7 |
| I/sigma | 15.2 | 39.9 | 0.5 |
| Rmerge | 0.05 | 0.033 | 1.238 |
| CC half | 0.998 | 0.998 | 0.255 |
| Anomalous completeness | 77.6 | 97.7 | 15.6 |
| Anomalous multiplicity | 2.6 | 2.6 | 2.6 |
| 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 | 1.49 | 4.04 | 1.49 |
| Low resolution limit | 36.72 | 36.73 | 1.52 |
| Completeness | 86.7 | 99.6 | 31.2 |
| Multiplicity | 4.7 | 5.5 | 1.7 |
| I/sigma | 15.1 | 39.1 | 0.5 |
| Rmerge | 0.05 | 0.034 | 1.243 |
| CC half | 0.998 | 0.998 | 0.251 |
| Anomalous completeness | 77.6 | 97.6 | 15.6 |
| Anomalous multiplicity | 2.6 | 2.6 | 2.6 |
| Cell | 51.87 | 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 -> 190.98
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.44 | 3.92 | 1.44 |
| Low resolution limit | 56.8 | 56.84 | 1.47 |
| Completeness | 79.6 | 100.0 | 6.8 |
| Multiplicity | 4.7 | 5.7 | 1.3 |
| I/sigma | 6.1 | 30.1 | 0.0 |
| Rmerge | 0.093 | 0.057 | 4.431 |
| CC half | 0.995 | 0.993 | -0.277 |
| Anomalous completeness | 70.8 | 99.9 | 1.2 |
| Anomalous multiplicity | 2.6 | 2.6 | 2.6 |
| Cell | 51.999 | 77.366 | 83.649 | 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.
