Data DOI: 10.15785/SBGRID/108 | ID: 108
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/108
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/108 .' (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/108 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/108 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/108 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 108 ; 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:
13 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/108.
Native dataset, medium 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/108/p3.3_2_###.img
Images:
1 - 150
Beam:
(105.03, 103.56) -> (105.03, 103.5)
Distance:
227.26 -> 226.19
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.63 | 4.42 | 1.63 |
| Low resolution limit | 36.57 | 36.58 | 1.66 |
| Completeness | 76.9 | 99.0 | 5.5 |
| Multiplicity | 4.6 | 5.4 | 1.2 |
| I/sigma | 34.2 | 63.9 | 2.1 |
| Rmerge | 0.021 | 0.015 | 0.489 |
| CC half | 1.0 | 0.999 | 0.873 |
| Anomalous completeness | 70.8 | 96.6 | 0.9 |
| Anomalous multiplicity | 2.5 | 2.5 | 2.5 |
| Cell | 51.61 | 76.59 | 83.24 | 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/108/p3.3_2_###.img
Images:
1 - 150
Beam:
(105.03, 103.56) -> (105.03, 103.5)
Distance:
227.26 -> 226.11
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.63 | 4.43 | 1.63 |
| Low resolution limit | 51.61 | 51.64 | 1.66 |
| Completeness | 76.9 | 98.9 | 5.5 |
| Multiplicity | 4.6 | 5.4 | 1.2 |
| I/sigma | 34.2 | 63.9 | 2.1 |
| Rmerge | 0.021 | 0.015 | 0.489 |
| CC half | 1.0 | 0.999 | 0.871 |
| Anomalous completeness | 70.8 | 96.5 | 0.9 |
| Anomalous multiplicity | 2.5 | 2.5 | 2.5 |
| Cell | 51.61 | 76.59 | 83.24 | 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/108/p3.3_2_###.img
Images:
1 - 150
Beam:
(105.03, 103.56) -> (105.03, 103.5)
Distance:
227.26 -> 226.41
Spacegroup:
P 2 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.63 | 4.43 | 1.63 |
| Low resolution limit | 56.45 | 56.48 | 1.66 |
| Completeness | 77.1 | 100.0 | 5.9 |
| Multiplicity | 4.7 | 5.6 | 1.2 |
| I/sigma | 42.8 | 85.4 | 2.6 |
| Rmerge | 0.029 | 0.021 | 0.32 |
| CC half | 0.999 | 0.996 | 0.93 |
| Anomalous completeness | 71.6 | 99.9 | 0.9 |
| Anomalous multiplicity | 2.6 | 2.6 | 2.6 |
| Cell | 51.672 | 76.707 | 83.368 | 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.
