X-Ray Diffraction data from succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18), source of 5E5H structure

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: May 31, 2016

Data Access Instructions

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:

July 12, 2015

Related Datasets:

None


Cite this Dataset

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.

Download Citation

Dataset Description

Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and degradation products from the acetyl-CoA analogue dethiaacetyl-CoA (AcMX)

Project Members

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

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

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, 111.98)

Distance:

180.0 -> 180.28

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.69 4.59 1.69
Low resolution limit 57.3 57.34 1.72
Completeness 98.2 100.0 86.9
Multiplicity 13.2 13.8 9.4
I/sigma 8.8 24.5 1.0
Rmerge 0.204 0.061 1.94
CC half 0.996 0.998 0.266
Anomalous completeness 98.3 100.0 87.8
Anomalous multiplicity 6.9 6.9 6.9
Cell 67.166 109.855 119.519 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 -> 180.15

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.7 4.61 1.7
Low resolution limit 57.25 57.28 1.73
Completeness 99.6 100.0 93.7
Multiplicity 14.3 13.6 10.3
I/sigma 14.2 48.2 1.1
Rmerge 0.139 0.038 2.067
CC half 0.999 0.999 0.403
Anomalous completeness 99.6 100.0 94.5
Anomalous multiplicity 7.5 7.5 7.5
Cell 67.1 109.73 119.57 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 1.7 4.61 1.7
Low resolution limit 58.52 58.56 1.73
Completeness 99.6 100.0 93.7
Multiplicity 14.3 13.6 10.4
I/sigma 14.2 48.2 1.1
Rmerge 0.139 0.038 2.072
CC half 0.999 0.999 0.406
Anomalous completeness 99.6 100.0 94.5
Anomalous multiplicity 7.5 7.5 7.5
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, 111.95)

Distance:

180.0 -> 179.83

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.75 4.75 1.75
Low resolution limit 57.3 57.33 1.78
Completeness 99.9 100.0 95.9
Multiplicity 14.6 14.0 11.7
I/sigma 10.0 24.9 1.1
Rmerge 0.164 0.055 2.667
CC half 0.998 0.999 0.692
Anomalous completeness 99.8 100.0 96.0
Anomalous multiplicity 7.6 7.6 7.6
Cell 67.158 109.888 119.658 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.