X-Ray Diffraction data from succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18), source of 5DW5 structure

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: May 31, 2016

Data Access Instructions

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:

July 12, 2015

Related Datasets:

None


Cite this Dataset

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.

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Dataset Description

Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to the CoA analogue 3'-phosphoadenosine 5'-(O-(N-propylpantothenamide))pyrophosphate (MX)

Project Members

Name Additional Roles Affiliation While Working on the Project
Jesse R. MurphyPurdue University
T. Joseph KappockData Collector, Depositor, PIPurdue University

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

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 -> 165.44

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.38 3.75 1.38
Low resolution limit 42.71 42.73 1.4
Completeness 90.7 100.0 43.4
Multiplicity 6.7 7.5 2.6
I/sigma 17.2 42.9 1.0
Rmerge 0.048 0.033 0.841
CC half 0.999 0.998 0.406
Anomalous completeness 89.1 99.9 37.2
Anomalous multiplicity 3.5 3.5 3.5
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 1.38 3.75 1.38
Low resolution limit 60.12 60.17 1.4
Completeness 90.7 100.0 43.4
Multiplicity 6.7 7.5 2.6
I/sigma 17.2 42.9 1.0
Rmerge 0.048 0.033 0.842
CC half 0.999 0.998 0.409
Anomalous completeness 89.1 99.8 37.2
Anomalous multiplicity 3.5 3.5 3.5
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 -> 165.74

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.38 3.75 1.38
Low resolution limit 57.62 57.67 1.4
Completeness 89.7 98.8 39.2
Multiplicity 6.8 7.9 2.6
I/sigma 13.3 31.0 1.0
Rmerge 0.061 0.039 0.828
CC half 0.998 0.997 0.532
Anomalous completeness 88.1 98.3 33.2
Anomalous multiplicity 3.5 3.5 3.5
Cell 67.545 110.45 120.324 90.0 90.0 90.0

License and Terms of use

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.