Data DOI: 10.15785/SBGRID/103 | ID: 103
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/103
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/103 .' (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/103 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/103 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/103 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 103 ; shasum -c files.sha'
Storage requirements: 2.4G
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/103.
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/103/p6.1_6_###.img
Images:
1 - 300
Beam:
(105.0, 103.52) -> (105.0, 103.41)
Distance:
114.78 -> 114.18
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.06 | 2.88 | 1.06 |
| Low resolution limit | 26.75 | 26.76 | 1.08 |
| Completeness | 69.0 | 79.6 | 8.8 |
| Multiplicity | 11.7 | 9.1 | 3.6 |
| I/sigma | 25.1 | 49.8 | 0.7 |
| Rmerge | 0.052 | 0.034 | 1.68 |
| CC half | 0.998 | 0.995 | 0.321 |
| Anomalous completeness | 68.0 | 74.1 | 6.0 |
| Anomalous multiplicity | 6.1 | 6.1 | 6.1 |
| Cell | 57.52 | 72.78 | 83.18 | 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/103/p6.1_6_###.img
Images:
1 - 300
Beam:
(105.0, 103.52) -> (105.0, 103.43)
Distance:
114.78 -> 114.21
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.06 | 2.88 | 1.06 |
| Low resolution limit | 57.52 | 57.6 | 1.08 |
| Completeness | 69.0 | 79.5 | 8.8 |
| Multiplicity | 11.7 | 9.1 | 3.6 |
| I/sigma | 25.1 | 49.8 | 0.7 |
| Rmerge | 0.052 | 0.034 | 1.683 |
| CC half | 0.998 | 0.996 | 0.322 |
| Anomalous completeness | 68.0 | 74.1 | 6.0 |
| Anomalous multiplicity | 6.1 | 6.1 | 6.1 |
| Cell | 57.52 | 72.78 | 83.18 | 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/103/p6.1_6_###.img
Images:
1 - 300
Beam:
(105.0, 103.52) -> (105.0, 103.41)
Distance:
114.78 -> 114.28
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.06 | 2.88 | 1.06 |
| Low resolution limit | 47.37 | 47.42 | 1.08 |
| Completeness | 70.1 | 99.3 | 8.2 |
| Multiplicity | 12.1 | 11.7 | 3.4 |
| I/sigma | 16.1 | 37.5 | 0.3 |
| Rmerge | 0.094 | 0.121 | 3.076 |
| CC half | 0.992 | 0.976 | 0.23 |
| Anomalous completeness | 69.5 | 99.8 | 5.4 |
| Anomalous multiplicity | 6.3 | 6.3 | 6.3 |
| Cell | 57.597 | 72.878 | 83.261 | 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.
