Data DOI: 10.15785/SBGRID/225 | ID: 225
Publication DOI: 10.1038/nm.4077
5DYN Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Crosson Laboratory, University of Chicago
Release Date: March 8, 2016
1. If this dataset is locally available, it should be accessable at /programs/datagrid/225
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/225 .' (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/225 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/225 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/225 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 225 ; shasum -c files.sha'
Storage requirements: 3.2G
Biological Sample:
Bacteroides fragilis fragipain protease
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
LS-CAT, 21-ID-F. Advanced Photon Source.
Data Creation Date:
Feb. 2, 2014
Related Datasets:
None
Bubeck Wardenburg, J; Choi, V; Herrou, J; Crosson, S. 2016. "X-Ray Diffraction data for: Bacteroides fragilis fragipain protease. PDB Code 5DYN", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/225.
native dataset collected from single crystal of B. fragilis fragipain protease
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Juliane Bubeck Wardenburg | University of Chicago | |
| Vivian Choi | Data Collector | University of Chicago |
| Julien Herrou | Data Collector | University of Chicago |
| Sean Crosson | Data Collector, Depositor, PI | University of Chicago |
data were indexed in P21212 to 2.48 Angstrom using xia2 -3d
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/225/Viv2_2.###
Images:
1 - 180
Beam:
(112.38, 111.95) -> (112.38, 112.03)
Distance:
200.0 -> 200.07
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.23 | 6.05 | 2.23 |
| Low resolution limit | 62.29 | 62.32 | 2.27 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 6.8 | 6.1 | 7.0 |
| I/sigma | 6.7 | 17.1 | 1.1 |
| Rmerge | 0.212 | 0.062 | 1.608 |
| CC half | 0.986 | 0.971 | 0.319 |
| Anomalous completeness | 99.9 | 99.9 | 100.0 |
| Anomalous multiplicity | 3.7 | 3.7 | 3.7 |
| Cell | 124.589 | 49.005 | 61.023 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/225/Viv2_2.###
Images:
1 - 180
Beam:
(112.38, 111.95) -> (112.38, 111.93)
Distance:
200.0 -> 199.08
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.25 | 6.1 | 2.25 |
| Low resolution limit | 41.43 | 41.44 | 2.29 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 7.2 | 6.4 | 7.4 |
| I/sigma | 10.8 | 34.7 | 1.3 |
| Rmerge | 0.144 | 0.038 | 1.602 |
| CC half | 0.998 | 0.999 | 0.414 |
| Anomalous completeness | 99.8 | 99.6 | 99.8 |
| Anomalous multiplicity | 3.9 | 3.9 | 3.9 |
| Cell | 124.29 | 48.89 | 60.86 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/225/Viv2_2.###
Images:
1 - 180
Beam:
(112.38, 111.95) -> (112.38, 111.93)
Distance:
200.0 -> 199.33
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.23 | 6.05 | 2.23 |
| Low resolution limit | 60.86 | 60.88 | 2.27 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 7.2 | 6.4 | 7.4 |
| I/sigma | 10.6 | 34.2 | 1.2 |
| Rmerge | 0.149 | 0.038 | 1.696 |
| CC half | 0.998 | 0.999 | 0.398 |
| Anomalous completeness | 99.8 | 99.6 | 99.9 |
| Anomalous multiplicity | 3.9 | 3.9 | 3.9 |
| Cell | 124.29 | 48.89 | 60.86 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/225/Viv2_2.###
Images:
1 - 180
Beam:
(112.38, 111.95) -> (112.38, 111.99)
Distance:
200.0 -> 199.41
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.26 | 6.14 | 2.26 |
| Low resolution limit | 62.06 | 62.08 | 2.3 |
| Completeness | 100.0 | 100.0 | 98.2 |
| Multiplicity | 7.1 | 6.2 | 7.2 |
| I/sigma | 5.6 | 11.9 | 1.1 |
| Rmerge | 0.184 | 0.063 | 1.875 |
| CC half | 0.983 | 0.968 | 0.635 |
| Anomalous completeness | 99.9 | 99.9 | 98.1 |
| Anomalous multiplicity | 3.8 | 3.8 | 3.8 |
| Cell | 124.122 | 48.834 | 60.79 | 90.0 | 90.0 | 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.
