Data DOI: 10.15785/SBGRID/309 | ID: 309
Publication DOI: 10.3389/fchem.2016.00023
5DW5 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/309
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/309 .' (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/309 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/309 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/309 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 309 ; shasum -c files.sha'
Storage requirements: 7.2G
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, T. 2016. "X-Ray Diffraction data for: succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18). PDB Code 5DW5", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/309.
Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to the CoA analogue 3'-phosphoadenosine 5'-(O-(N-propylpantothenamide))pyrophosphate (MX)
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Jesse R. Murphy | Purdue University | |
| T. Joseph 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/309/102M_2_2_2.###
Images:
1 - 404
Beam:
(112.37, 112.02) -> (112.37, 112.69)
Distance:
165.0 -> 165.45
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.35 | 3.66 | 1.35 |
| Low resolution limit | 42.71 | 42.74 | 1.37 |
| Completeness | 87.0 | 100.0 | 29.1 |
| Multiplicity | 6.5 | 7.5 | 2.4 |
| I/sigma | 16.9 | 43.0 | 0.8 |
| Rmerge | 0.048 | 0.033 | 1.002 |
| CC half | 0.999 | 0.998 | 0.363 |
| Anomalous completeness | 85.1 | 99.8 | 22.7 |
| Anomalous multiplicity | 3.4 | 3.4 | 3.4 |
| Cell | 67.48 | 110.35 | 120.23 | 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/309/102M_2_2_2.###
Images:
1 - 404
Beam:
(112.37, 112.02) -> (112.37, 112.69)
Distance:
165.0 -> 165.63
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.35 | 3.66 | 1.35 |
| Low resolution limit | 60.12 | 60.17 | 1.37 |
| Completeness | 87.0 | 100.0 | 29.1 |
| Multiplicity | 6.5 | 7.5 | 2.4 |
| I/sigma | 16.9 | 43.0 | 0.8 |
| Rmerge | 0.048 | 0.033 | 1.003 |
| CC half | 0.999 | 0.998 | 0.362 |
| Anomalous completeness | 85.1 | 99.8 | 22.7 |
| Anomalous multiplicity | 3.4 | 3.4 | 3.4 |
| Cell | 67.48 | 110.35 | 120.23 | 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/309/102M_2_2_2.###
Images:
1 - 404
Beam:
(112.37, 112.02) -> (112.37, 112.76)
Distance:
165.0 -> 165.62
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.45 | 3.94 | 1.45 |
| Low resolution limit | 81.32 | 81.45 | 1.48 |
| Completeness | 96.5 | 100.0 | 70.1 |
| Multiplicity | 7.1 | 8.0 | 3.1 |
| I/sigma | 9.6 | 44.5 | 2.1 |
| Rmerge | 0.092 | 0.052 | 0.729 |
| CC half | 0.946 | 0.995 | 0.347 |
| Anomalous completeness | 95.9 | 99.9 | 66.4 |
| Anomalous multiplicity | 3.7 | 3.7 | 3.7 |
| Cell | 67.513 | 110.403 | 120.239 | 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.
