Data DOI: 10.15785/SBGRID/105 | ID: 105
Publication DOI: 10.1371/journal.pone.0034354
3U8O 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/105
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/105 .' (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/105 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/105 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/105 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 105 ; shasum -c files.sha'
Storage requirements: 2.2G
Biological Sample:
Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr
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-D-Thr. PDB Code 3U8O", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/105.
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/105/p6.1_5_###.img
Images:
1 - 270
Beam:
(105.03, 103.57) -> (105.03, 103.51)
Distance:
262.6 -> 261.62
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.83 | 4.96 | 1.83 |
| Low resolution limit | 30.58 | 30.58 | 1.86 |
| Completeness | 61.1 | 99.4 | 5.9 |
| Multiplicity | 10.4 | 10.0 | 2.6 |
| I/sigma | 50.5 | 73.8 | 4.5 |
| Rmerge | 0.028 | 0.019 | 0.207 |
| CC half | 1.0 | 1.0 | 0.957 |
| Anomalous completeness | 59.8 | 99.3 | 3.2 |
| Anomalous multiplicity | 5.5 | 5.5 | 5.5 |
| Cell | 57.51 | 72.75 | 83.17 | 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/105/p6.1_5_###.img
Images:
1 - 270
Beam:
(105.03, 103.57) -> (105.03, 103.51)
Distance:
262.6 -> 261.63
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.83 | 4.97 | 1.83 |
| Low resolution limit | 33.33 | 33.33 | 1.86 |
| Completeness | 61.1 | 99.4 | 5.9 |
| Multiplicity | 10.4 | 10.0 | 2.6 |
| I/sigma | 50.5 | 73.8 | 4.5 |
| Rmerge | 0.028 | 0.019 | 0.207 |
| CC half | 1.0 | 1.0 | 0.957 |
| Anomalous completeness | 59.8 | 99.3 | 3.2 |
| Anomalous multiplicity | 5.5 | 5.5 | 5.5 |
| Cell | 57.51 | 72.75 | 83.17 | 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/105/p6.1_5_###.img
Images:
1 - 270
Beam:
(105.03, 103.57) -> (105.03, 103.52)
Distance:
262.6 -> 261.82
Spacegroup:
P 2 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.83 | 4.98 | 1.83 |
| Low resolution limit | 72.9 | 72.96 | 1.86 |
| Completeness | 60.7 | 99.1 | 4.9 |
| Multiplicity | 10.4 | 10.1 | 2.4 |
| I/sigma | 30.7 | 50.1 | 6.4 |
| Rmerge | 0.077 | 0.034 | 0.137 |
| CC half | 0.997 | 0.995 | 0.808 |
| Anomalous completeness | 59.8 | 100.0 | 2.4 |
| Anomalous multiplicity | 5.6 | 5.6 | 5.6 |
| Cell | 57.626 | 72.899 | 83.331 | 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.
