Data DOI: 10.15785/SBGRID/311 | ID: 311
Publication DOI: 10.3389/fchem.2016.00023
5E5H Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Kappock Laboratory, Purdue University
Release Date: 31 May 2016
1. If this dataset is locally available, it should be accessable at /programs/datagrid/311
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/311 .' (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/311 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/311 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/311 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 311 ; shasum -c files.sha'
Storage requirements: 6.4G
Biological Sample:
succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18)
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
beamline 21-ID-F, LS-CAT, APS, Chicago, IL
Data Creation Date:
12 Jul 2015
Related Datasets:
None
Murphy, JR.; Kappock, TJ. 2016. "X-Ray Diffraction data for: succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18). PDB Code 5E5H", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/311.
Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and degradation products from the acetyl-CoA analogue dethiaacetyl-CoA (AcMX)
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Jesse R. Murphy | Purdue University | |
| T. Joseph J Kappock | Data Collector, Depositor, PI | Purdue University |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/311/aarch6_126.###
Images:
1 - 360
Beam:
(111.39, 111.97) -> (111.39, 111.88)
Distance:
180.0 -> 180.17
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.65 | 4.48 | 1.65 |
| Low resolution limit | 58.52 | 58.56 | 1.68 |
| Completeness | 98.4 | 100.0 | 81.8 |
| Multiplicity | 13.9 | 13.5 | 9.4 |
| I/sigma | 13.3 | 48.4 | 0.8 |
| Rmerge | 0.144 | 0.038 | 2.59 |
| CC half | 0.999 | 0.999 | 0.299 |
| Anomalous completeness | 98.4 | 99.9 | 82.5 |
| Anomalous multiplicity | 7.2 | 7.2 | 7.2 |
| Cell | 67.11 | 109.73 | 119.57 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/311/aarch6_126.###
Images:
1 - 360
Beam:
(111.39, 111.97) -> (111.39, 111.88)
Distance:
180.0 -> 179.96
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.65 | 4.48 | 1.65 |
| Low resolution limit | 58.52 | 58.56 | 1.68 |
| Completeness | 98.4 | 100.0 | 81.8 |
| Multiplicity | 13.9 | 13.5 | 9.4 |
| I/sigma | 13.3 | 48.5 | 0.8 |
| Rmerge | 0.144 | 0.038 | 2.593 |
| CC half | 0.999 | 0.999 | 0.301 |
| Anomalous completeness | 98.4 | 99.9 | 82.5 |
| Anomalous multiplicity | 7.2 | 7.2 | 7.2 |
| Cell | 67.11 | 109.73 | 119.57 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/311/aarch6_126.###
Images:
1 - 360
Beam:
(111.39, 111.97) -> (111.39, 111.94)
Distance:
180.0 -> 179.59
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.46 | 3.97 | 1.46 |
| Low resolution limit | 59.78 | 59.83 | 1.49 |
| Completeness | 86.6 | 100.0 | 43.4 |
| Multiplicity | 12.1 | 14.4 | 4.3 |
| I/sigma | 6.9 | 21.8 | 10.7 |
| Rmerge | 0.541 | 0.078 | 0.848 |
| CC half | 0.505 | 0.997 | 0.223 |
| Anomalous completeness | 86.4 | 100.0 | 42.5 |
| Anomalous multiplicity | 6.3 | 6.3 | 6.3 |
| Cell | 67.105 | 109.814 | 119.559 | 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.
