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
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
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.
Native data set
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Christina Zimanyi | Data Collector, Depositor | Department of Chemistry, Massachusetts Institute of Technology |
| Catherine Drennan | PI | Massachusetts Institute of Technology |
none
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: 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.
