X-Ray Diffraction data from succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18) with covalent adducts, source of 4EU6 structure

Data DOI: 10.15785/SBGRID/274 | ID: 274

Publication DOI: 10.1021/bi300957f

4EU6 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Kappock Laboratory, Purdue University

Release Date: May 27, 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/274

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/274 .' (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/274 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/274 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/274 .' (Shanghai Institutes for Biological Sciences, China)

3. After the transfer is completed, please issue the following command to verify data integrity:

'cd 274 ; shasum -c files.sha'

Storage requirements: 6.4G

Biological Sample:

succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18) with covalent adducts

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

beamline 21-ID-F, LS-CAT, APS, Chicago, IL

Data Creation Date:

July 23, 2011

Related Datasets:

None


Cite this Dataset

Mullins, EA.; Kappock, T. 2016. "X-Ray Diffraction data for: succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18) with covalent adducts. PDB Code 4EU6", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/274.

Download Citation

Dataset Description

Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA, acetate, and covalent acetylglutamyl anhydride and glutamyl-CoA thioester adducts

Project Members

Name Additional Roles Affiliation While Working on the Project
Elwood A. MullinsData CollectorPurdue University
T. Joseph KappockDepositor, 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/274/aarch6_101.###

Images:

1 - 360

Beam:

(111.41, 112.02) -> (111.41, 112.03)

Distance:

155.0 -> 155.52

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.54 4.18 1.54
Low resolution limit 50.03 50.05 1.57
Completeness 99.8 100.0 99.2
Multiplicity 13.6 14.1 9.9
I/sigma 9.9 30.5 1.3
Rmerge 0.229 0.054 2.664
CC half 0.997 0.998 0.343
Anomalous completeness 99.7 100.0 99.4
Anomalous multiplicity 7.0 7.0 7.0
Cell 67.073 110.189 119.418 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/274/aarch6_101.###

Images:

1 - 360

Beam:

(111.41, 112.02) -> (111.41, 111.92)

Distance:

155.0 -> 155.46

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.57 4.26 1.57
Low resolution limit 50.22 50.24 1.6
Completeness 100.0 100.0 99.9
Multiplicity 14.6 13.8 12.7
I/sigma 14.0 46.2 1.2
Rmerge 0.171 0.041 1.948
CC half 0.999 0.999 0.6
Anomalous completeness 100.0 100.0 99.9
Anomalous multiplicity 7.6 7.6 7.6
Cell 67.2 110.6 119.89 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/274/aarch6_101.###

Images:

1 - 360

Beam:

(111.41, 112.02) -> (111.41, 111.93)

Distance:

155.0 -> 155.39

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.57 4.26 1.57
Low resolution limit 59.94 59.99 1.6
Completeness 100.0 100.0 99.9
Multiplicity 14.6 13.8 12.7
I/sigma 14.0 46.2 1.2
Rmerge 0.17 0.041 1.953
CC half 0.999 0.999 0.597
Anomalous completeness 100.0 100.0 99.9
Anomalous multiplicity 7.6 7.6 7.6
Cell 67.2 110.6 119.89 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/274/aarch6_101.###

Images:

1 - 360

Beam:

(111.41, 112.02) -> (111.41, 111.99)

Distance:

155.0 -> 155.61

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.56 4.23 1.56
Low resolution limit 58.65 58.7 1.58
Completeness 99.5 100.0 88.6
Multiplicity 14.6 14.3 11.1
I/sigma 9.7 30.7 1.0
Rmerge 0.219 0.048 4.343
CC half 0.998 0.999 0.411
Anomalous completeness 99.4 100.0 88.7
Anomalous multiplicity 7.6 7.6 7.6
Cell 67.239 110.779 119.963 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.