X-Ray Diffraction data from N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18), source of 2FWI structure

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Data DOI: 10.15785/SBGRID/298 | ID: 298

Publication DOI: 10.1021/bi060465n

2FWI Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Kappock Laboratory, Purdue University

Release Date: 31 May 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/298

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/298 .' (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/298 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/298 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/298 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 298 ; shasum -c files.sha'

Storage requirements: 1.3G

Biological Sample:

N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18)

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

RIGAKU RAXIS IV

Data Creation Date:

9 Dec 2005

Related Datasets:

None


Cite this Dataset

Starks, CM.; Kappock, T. 2016. "X-Ray Diffraction data for: N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18). PDB Code 2FWI", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/298.

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Dataset Description

Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59D, from the acidophilic bacterium Acetobacter aceti, complexed with 5-aminoimidazole ribonucleotide (AIR)

Project Members

Name Additional Roles Affiliation While Working on the Project
T. Joseph KappockDepositorWashington University in St Louis
Courtney M. StarksData CollectorWashington University in St Louis
T. Joseph KappockPIPurdue University

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

xia2 -2d

xia2 -3d

xia2 -3dii

xia2 -dials
/programs/x86_64-linux/dials/3.12.0/bin.capsules//xia2 pipeline=3d mosflm_beam_centre=149.56,154.32 /programs/datagrid//298/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.5418

Sweep:

SWEEP1

Files:

/programs/datagrid/298/CS1111C###.osc

Images:

1 - 72

Beam:

(149.56, 154.32) -> (149.56, 155.44)

Distance:

-130.0 -> -149.72

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.6 4.33 1.6
Low resolution limit 18.29 18.29 1.63
Completeness 27.4 49.2 0.2
Multiplicity 1.2 1.5 1.0
I/sigma 0.6 4.3 0.4
Rmerge 0.0 0.0 0.0
CC half 0.048 0.001 0.0
Anomalous completeness 5.9 24.1 0.0
Anomalous multiplicity 1.0 1.0 1.0
Cell 116.66 125.423 149.47 104.624 93.26 115.955
/programs/x86_64-linux/dials/3.12.0/bin.capsules//xia2 pipeline=3dii mosflm_beam_centre=149.56,154.32 /programs/datagrid//298/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.

/programs/x86_64-linux/dials/3.12.0/bin.capsules//xia2 pipeline=dials mosflm_beam_centre=149.56,154.32 /programs/datagrid//298/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.


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.