X-Ray Diffraction data from succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18), N347A mutant bound to CoA, source of 5DDK structure

Data DOI: 10.15785/SBGRID/282 | ID: 282

Publication DOI: 10.3389/fchem.2016.00023

5DDK 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/282

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/282 .' (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/282 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/282 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/282 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 282 ; shasum -c files.sha'

Storage requirements: 12G

Biological Sample:

succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18), N347A mutant bound to CoA

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

21-ID-G, LS-CAT, APS, Chicago, IL

Data Creation Date:

June 27, 2012

Related Datasets:

None


Cite this Dataset

Mullins, EA.; Murphy, JR.; Kappock, T. 2016. "X-Ray Diffraction data for: succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18), N347A mutant bound to CoA. PDB Code 5DDK", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/282.

Download Citation

Dataset Description

Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with CoA

Project Members

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

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97856

Sweep:

SWEEP2

Files:

/programs/datagrid/282/AarC_7_1.###

Images:

1 - 180

Beam:

(145.75, 155.62) -> (145.75, 155.56)

Distance:

200.0 -> 199.94

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.83 4.97 1.83
Low resolution limit 57.31 57.34 1.86
Completeness 99.4 100.0 97.4
Multiplicity 13.8 13.7 13.6
I/sigma 9.9 25.1 1.3
Rmerge 0.21 0.043 1.937
CC half 0.996 0.999 0.518
Anomalous completeness 99.1 100.0 96.9
Anomalous multiplicity 7.2 7.2 7.2
Cell 67.175 109.885 120.081 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97856

Sweep:

SWEEP2

Files:

/programs/datagrid/282/AarC_7_1.###

Images:

1 - 180

Beam:

(145.75, 155.62) -> (145.75, 155.52)

Distance:

200.0 -> 199.35

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.83 4.96 1.83
Low resolution limit 41.41 41.42 1.86
Completeness 100.0 100.0 99.8
Multiplicity 14.6 13.8 12.5
I/sigma 16.9 57.9 1.3
Rmerge 0.144 0.031 2.189
CC half 0.999 1.0 0.5
Anomalous completeness 99.9 99.9 99.5
Anomalous multiplicity 7.6 7.6 7.6
Cell 67.05 109.67 120.02 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97856

Sweep:

SWEEP2

Files:

/programs/datagrid/282/AarC_7_1.###

Images:

1 - 180

Beam:

(145.75, 155.62) -> (145.75, 155.53)

Distance:

200.0 -> 199.52

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.83 4.97 1.83
Low resolution limit 57.21 57.23 1.86
Completeness 100.0 100.0 99.7
Multiplicity 14.5 13.8 10.1
I/sigma 16.8 57.3 1.2
Rmerge 0.143 0.031 2.095
CC half 0.999 1.0 0.457
Anomalous completeness 99.9 99.9 99.3
Anomalous multiplicity 7.6 7.6 7.6
Cell 67.05 109.67 120.02 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97856

Sweep:

SWEEP2

Files:

/programs/datagrid/282/AarC_7_1.###

Images:

1 - 180

Beam:

(145.75, 155.62) -> (145.75, 155.61)

Distance:

200.0 -> 199.4

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.02 5.48 2.02
Low resolution limit 42.42 42.43 2.05
Completeness 93.7 100.0 63.9
Multiplicity 9.5 11.7 2.5
I/sigma 14.8 32.5 1.1
Rmerge 0.09 0.036 1.26
CC half 0.997 0.999 0.595
Anomalous completeness 86.2 99.8 36.7
Anomalous multiplicity 5.2 5.2 5.2
Cell 66.991 109.635 119.919 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.