Data DOI: 10.15785/SBGRID/104 | ID: 104
Publication DOI: 10.1371/journal.pone.0034354
3U8O Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Pereira Laboratory, IBMC/i3S, Universidade do Porto
Release Date: May 19, 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/104
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/104 .' (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/104 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/104 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/104 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 104 ; 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:
Nov. 14, 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/104.
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/104/p6.1_4_###.img
Images:
1 - 270
Beam:
(105.01, 103.54) -> (105.01, 103.54)
Distance:
178.88 -> 177.8
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.38 | 3.75 | 1.38 |
| Low resolution limit | 47.26 | 47.28 | 1.4 |
| Completeness | 64.5 | 98.3 | 6.6 |
| Multiplicity | 10.6 | 10.1 | 2.7 |
| I/sigma | 40.5 | 74.8 | 2.1 |
| Rmerge | 0.034 | 0.023 | 0.417 |
| CC half | 0.999 | 0.998 | 0.803 |
| Anomalous completeness | 63.6 | 98.8 | 3.6 |
| Anomalous multiplicity | 5.6 | 5.6 | 5.6 |
| Cell | 57.452 | 72.662 | 83.091 | 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/104/p6.1_4_###.img
Images:
1 - 270
Beam:
(105.01, 103.54) -> (105.01, 103.45)
Distance:
178.88 -> 178.09
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.37 | 3.72 | 1.37 |
| Low resolution limit | 30.74 | 30.74 | 1.4 |
| Completeness | 64.4 | 98.1 | 6.3 |
| Multiplicity | 10.6 | 10.3 | 2.5 |
| I/sigma | 44.3 | 87.7 | 1.4 |
| Rmerge | 0.028 | 0.016 | 0.598 |
| CC half | 1.0 | 1.0 | 0.631 |
| Anomalous completeness | 63.5 | 98.5 | 3.0 |
| Anomalous multiplicity | 5.6 | 5.6 | 5.6 |
| Cell | 57.51 | 72.73 | 83.16 | 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/104/p6.1_4_###.img
Images:
1 - 270
Beam:
(105.01, 103.54) -> (105.01, 103.46)
Distance:
178.88 -> 178.12
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.37 | 3.73 | 1.37 |
| Low resolution limit | 36.37 | 36.38 | 1.4 |
| Completeness | 64.4 | 98.0 | 6.3 |
| Multiplicity | 10.6 | 10.3 | 2.5 |
| I/sigma | 44.2 | 87.6 | 1.4 |
| Rmerge | 0.028 | 0.016 | 0.601 |
| CC half | 1.0 | 1.0 | 0.63 |
| Anomalous completeness | 63.5 | 98.5 | 3.0 |
| Anomalous multiplicity | 5.6 | 5.6 | 5.6 |
| Cell | 57.51 | 72.73 | 83.16 | 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/104/p6.1_4_###.img
Images:
1 - 270
Beam:
(105.01, 103.54) -> (105.01, 103.47)
Distance:
178.88 -> 178.51
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.93 | 5.24 | 1.93 |
| Low resolution limit | 36.46 | 36.47 | 1.97 |
| Completeness | 71.1 | 98.0 | 1.1 |
| Multiplicity | 6.6 | 9.0 | 1.1 |
| I/sigma | 53.3 | 75.6 | 19.1 |
| Rmerge | 0.021 | 0.023 | 0.028 |
| CC half | 0.999 | 0.999 | 0.0 |
| Anomalous completeness | 56.7 | 99.3 | 0.0 |
| Anomalous multiplicity | 3.9 | 3.9 | 3.9 |
| Cell | 57.658 | 72.93 | 83.344 | 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.
