Data DOI: 10.15785/SBGRID/102 | ID: 102
Publication DOI: 10.1371/journal.pone.0034354
3U69 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/102
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/102 .' (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/102 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/102 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/102 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 102 ; shasum -c files.sha'
Storage requirements: 1.5G
Biological Sample:
Unliganded wild-type human thrombin
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
ESRF beamline ID14-1
Data Creation Date:
29 Jun 2009
Related Datasets:
Pereira, PJB. 2015. "X-Ray Diffraction data for: Unliganded wild-type human thrombin. PDB Code 3U69", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/102.
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/102/tc1g_1_###.img
Images:
1 - 180
Beam:
(104.98, 103.64) -> (104.98, 103.54)
Distance:
262.42 -> 262.14
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.84 | 4.99 | 1.84 |
| Low resolution limit | 41.56 | 41.57 | 1.87 |
| Completeness | 61.7 | 99.0 | 6.9 |
| Multiplicity | 6.9 | 6.7 | 2.0 |
| I/sigma | 30.4 | 53.5 | 1.2 |
| Rmerge | 0.038 | 0.021 | 0.624 |
| CC half | 0.999 | 1.0 | 0.611 |
| Anomalous completeness | 60.5 | 99.4 | 3.7 |
| Anomalous multiplicity | 3.7 | 3.7 | 3.7 |
| Cell | 57.6 | 73.06 | 83.12 | 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/102/tc1g_1_###.img
Images:
1 - 180
Beam:
(104.98, 103.64) -> (104.98, 103.54)
Distance:
262.42 -> 261.97
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.84 | 4.99 | 1.84 |
| Low resolution limit | 41.56 | 41.57 | 1.87 |
| Completeness | 61.7 | 99.0 | 6.9 |
| Multiplicity | 6.9 | 6.7 | 2.0 |
| I/sigma | 30.4 | 53.4 | 1.2 |
| Rmerge | 0.038 | 0.021 | 0.628 |
| CC half | 0.999 | 1.0 | 0.608 |
| Anomalous completeness | 60.5 | 99.4 | 3.7 |
| Anomalous multiplicity | 3.7 | 3.7 | 3.7 |
| Cell | 57.6 | 73.06 | 83.12 | 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/102/tc1g_1_###.img
Images:
1 - 180
Beam:
(104.98, 103.64) -> (104.98, 103.54)
Distance:
262.42 -> 262.3
Spacegroup:
P 2 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.95 | 5.29 | 1.95 |
| Low resolution limit | 73.25 | 73.31 | 1.98 |
| Completeness | 70.6 | 99.1 | 18.7 |
| Multiplicity | 7.1 | 6.7 | 4.8 |
| I/sigma | 17.3 | 30.2 | 8.9 |
| Rmerge | 0.153 | 0.064 | 0.261 |
| CC half | 0.984 | 0.996 | 0.162 |
| Anomalous completeness | 70.0 | 100.0 | 18.2 |
| Anomalous multiplicity | 3.8 | 3.8 | 3.8 |
| Cell | 57.751 | 73.253 | 83.314 | 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.
