X-Ray Diffraction data from Isobutyryl-coenzyme A mutase fused with bound adenosylcobalamin, GDP, and Mg (holo-IcmF/GDP), source of 4XC6 structure

Data DOI: 10.15785/SBGRID/83 | ID: 83

Publication DOI: 10.1073/pnas.1419582112

4XC6 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Drennan Laboratory, Massachusetts Institute of Technology

Release Date: May 13, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/83

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/83 .' (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/83 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/83 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/83 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 83 ; shasum -c files.sha'

Storage requirements: 3.2G

Biological Sample:

Isobutyryl-coenzyme A mutase fused with bound adenosylcobalamin, GDP, and Mg (holo-IcmF/GDP)

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

24ID-C, NE-CAT, APS, Argonne, IL

Data Creation Date:

Dec. 18, 2011

Related Datasets:

None


Cite this Dataset

Jost, M; Drennan, C. 2015. "X-Ray Diffraction data for: Isobutyryl-coenzyme A mutase fused with bound adenosylcobalamin, GDP, and Mg (holo-IcmF/GDP). PDB Code 4XC6", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/83.

Download Citation

Dataset Description

Native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Marco JostData Collector, DepositorDepartment of Chemistry, Massachusetts Institute of Technology, Cambridge, MA
Catherine DrennanPIMassachusetts Institute of Technology

Reprocessing Instructions

This data set was collected in 6 individual wedges. The wedges have different quality. The data set was indexed in space group R32 (155) and all frames were processed in XDS. The beam center needs to be set to ORGX=1518.57 ORGY=1523.22. The six wedges were then scaled together with the following resolution limits: wedge 1: 50 - 4 A; wedges 2-5: 50 - 3.35 A; wedge 6: 50 - 3.8 A.

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97948

Sweep:

SWEEP6

Files:

/programs/datagrid/83/icmf_adocbl_535_p15_6_###.img

Images:

1 - 20

Beam:

(156.72, 156.32) -> (156.72, 155.67)

Distance:

499.99 -> 502.64

Spacegroup:

H 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.2 8.67 3.2
Low resolution limit 51.55 51.55 3.26
Completeness 99.4 99.5 95.6
Multiplicity 10.0 10.4 3.5
I/sigma 12.7 45.0 1.0
Rmerge 0.14 0.038 1.157
CC half 0.997 0.999 0.387
Anomalous completeness 94.4 96.3 68.4
Anomalous multiplicity 5.2 5.2 5.2
Cell 318.56 318.56 343.63 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97948

Sweep:

SWEEP6

Files:

/programs/datagrid/83/icmf_adocbl_535_p15_6_###.img

Images:

1 - 20

Beam:

(156.72, 156.32) -> (156.72, 155.66)

Distance:

499.99 -> 502.25

Spacegroup:

H 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.2 8.67 3.2
Low resolution limit 51.14 51.15 3.26
Completeness 99.5 99.6 95.7
Multiplicity 10.0 10.4 3.5
I/sigma 12.6 44.6 1.0
Rmerge 0.146 0.039 1.156
CC half 0.996 0.999 0.378
Anomalous completeness 94.9 96.2 68.5
Anomalous multiplicity 5.3 5.3 5.3
Cell 318.66 318.66 343.68 90.0 90.0 120.0

Version:

version unreported

Reprocessing failed.

This dataset is part of the SBDB Pilot Reference Collection, and has processed intensities available from that collection.

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.