Data DOI: 10.15785/SBGRID/22 | ID: 22
Publication DOI: 10.1038/ja.2014.131
4RPA Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Tsodikov Laboratory, University of Kentucky
Release Date: 6 May 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/22
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/22 .' (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/22 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/22 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/22 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 22 ; shasum -c files.sha'
Storage requirements: 3.8G
Biological Sample:
Inorganic pyrophosphatase from Staphylococcus aureus in complex with Mn2+
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
APS/ANL, 21ID-G synchrotron beamline
Data Creation Date:
12 Jul 2014
Related Datasets:
None
Gajadeera, CS; Tsodikov, OV. 2015. "X-Ray Diffraction data for: Inorganic pyrophosphatase from Staphylococcus aureus in complex with Mn2+. PDB Code 4RPA", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/22.
This is a full data set collected at APS, on 21ID-G beamline. Data from the first 80 frames were scaled and used for crystal structure determination and refinement.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Chathurada S Gajadeera | Data Collector | University of Kentucky |
| Oleg V Tsodikov | Data Collector, Depositor, PI | University of Kentucky |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97856
Sweep:
SWEEP1
Files:
/programs/datagrid/22/sappiasepnp3/set.###
Images:
1 - 120
Beam:
(145.28, 155.54) -> (145.28, 155.5)
Distance:
250.0 -> 249.99
Spacegroup:
P 61 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.83 | 4.97 | 1.83 |
| Low resolution limit | 49.37 | 49.39 | 1.86 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 14.3 | 12.8 | 12.6 |
| I/sigma | 11.7 | 38.9 | 0.6 |
| Rmerge | 0.155 | 0.05 | 4.77 |
| CC half | 0.999 | 0.999 | 0.306 |
| Anomalous completeness | 100.0 | 100.0 | 99.9 |
| Anomalous multiplicity | 7.6 | 7.6 | 7.6 |
| Cell | 99.42 | 99.42 | 425.31 | 90.0 | 90.0 | 120.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97856
Sweep:
SWEEP1
Files:
/programs/datagrid/22/sappiasepnp3/set.###
Images:
1 - 120
Beam:
(145.28, 155.54) -> (145.28, 155.47)
Distance:
250.0 -> 249.69
Spacegroup:
P 61 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.83 | 4.97 | 1.83 |
| Low resolution limit | 60.51 | 60.54 | 1.86 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 14.3 | 12.8 | 12.6 |
| I/sigma | 11.7 | 38.9 | 0.6 |
| Rmerge | 0.155 | 0.05 | 4.772 |
| CC half | 0.999 | 0.999 | 0.307 |
| Anomalous completeness | 100.0 | 100.0 | 99.9 |
| Anomalous multiplicity | 7.6 | 7.6 | 7.6 |
| Cell | 99.42 | 99.42 | 425.31 | 90.0 | 90.0 | 120.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97856
Sweep:
SWEEP1
Files:
/programs/datagrid/22/sappiasepnp3/set.###
Images:
1 - 120
Beam:
(145.28, 155.54) -> (145.28, 155.56)
Distance:
250.0 -> 249.81
Spacegroup:
P 61 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.78 | 4.83 | 1.78 |
| Low resolution limit | 60.79 | 60.82 | 1.81 |
| Completeness | 100.0 | 100.0 | 99.6 |
| Multiplicity | 14.2 | 13.2 | 11.3 |
| I/sigma | 8.9 | 39.2 | 0.2 |
| Rmerge | 0.173 | 0.059 | 22.807 |
| CC half | 0.997 | 0.992 | 0.266 |
| Anomalous completeness | 100.0 | 100.0 | 99.5 |
| Anomalous multiplicity | 7.6 | 7.6 | 7.6 |
| Cell | 99.482 | 99.482 | 425.515 | 90.0 | 90.0 | 120.0 |
|---|
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.
