X-Ray Diffraction data from E. coli class Ia ribonucleotide reductase dATP inhibited complex bound to ADP and dGTP, source of 5CNU structure

Data DOI: 10.15785/SBGRID/239 | ID: 239

Publication DOI: 10.7554/eLife.07141

5CNU Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Drennan Laboratory, Massachusetts Institute of Technology

Release Date: March 25, 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/239

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/239 .' (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/239 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/239 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/239 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 239 ; shasum -c files.sha'

Storage requirements: 898M

Biological Sample:

E. coli class Ia ribonucleotide reductase dATP inhibited complex bound to ADP and dGTP

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Beamline 24-ID-C, NE-CAT, APS, Lemont, IL

Data Creation Date:

July 14, 2012

Related Datasets:

None


Cite this Dataset

Zimanyi, C; Drennan, C. 2016. "X-Ray Diffraction data for: E. coli class Ia ribonucleotide reductase dATP inhibited complex bound to ADP and dGTP. PDB Code 5CNU", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/239.

Download Citation

Dataset Description

Native data set

Project Members

Name Additional Roles Affiliation While Working on the Project
Christina ZimanyiData Collector, DepositorDepartment of Chemistry, Massachusetts Institute of Technology
Catherine DrennanPIMassachusetts Institute of Technology

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9795

Sweep:

SWEEP1

Files:

/programs/datagrid/239/a4b4_adp_01_1_####.cbf

Images:

30 - 180

Beam:

(218.89, 217.84) -> (218.89, 221.75)

Distance:

550.0 -> 550.16

Spacegroup:

C 1 2 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 4.46 12.1 4.46
Low resolution limit 113.75 113.79 4.54
Completeness 92.5 88.1 95.0
Multiplicity 3.1 3.1 3.0
I/sigma 13.3 24.8 9.3
Rmerge 0.059 0.029 0.101
CC half 0.995 0.997 0.978
Anomalous completeness 81.3 79.3 83.1
Anomalous multiplicity 1.7 1.7 1.7
Cell 274.97 157.27 166.03 90.0 119.63 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9795

Sweep:

SWEEP1

Files:

/programs/datagrid/239/a4b4_adp_01_1_####.cbf

Images:

30 - 180

Beam:

(218.89, 217.84) -> (218.89, 221.76)

Distance:

550.0 -> 548.51

Spacegroup:

C 1 2 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.17 8.6 3.17
Low resolution limit 128.35 128.46 3.22
Completeness 94.5 90.3 96.9
Multiplicity 3.0 3.1 3.1
I/sigma 7.0 22.8 1.0
Rmerge 0.123 0.031 1.132
CC half 0.988 0.997 0.357
Anomalous completeness 82.7 80.3 85.8
Anomalous multiplicity 1.6 1.6 1.6
Cell 274.97 157.27 166.03 90.0 119.63 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9795

Sweep:

SWEEP1

Files:

/programs/datagrid/239/a4b4_adp_01_1_####.cbf

Images:

30 - 180

Beam:

(218.89, 217.84) -> (218.89, 214.99)

Distance:

550.0 -> 540.75

Spacegroup:

C 1 2 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.56 9.67 3.56
Low resolution limit 121.42 121.49 3.62
Completeness 88.7 88.7 25.1
Multiplicity 3.0 3.0 2.8
I/sigma 1.5 2.7 1.1
Rmerge 0.473 0.744 0.487
CC half 0.439 0.151 0.224
Anomalous completeness 77.0 78.3 21.3
Anomalous multiplicity 1.6 1.6 1.6
Cell 260.466 149.024 158.679 90.0 118.726 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.