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, 111.93)
Distance:
200.0 -> 199.09
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.15 | 5.83 | 2.15 |
| Low resolution limit | 41.43 | 41.43 | 2.19 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 7.2 | 6.4 | 7.3 |
| I/sigma | 9.6 | 33.6 | 0.8 |
| Rmerge | 0.164 | 0.039 | 2.431 |
| CC half | 0.998 | 0.999 | 0.295 |
| Anomalous completeness | 99.9 | 99.7 | 99.9 |
| Anomalous multiplicity | 3.9 | 3.9 | 3.9 |
| Cell | 124.28 | 48.89 | 60.85 | 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 -> 199.31
Spacegroup:
P 21 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.16 | 5.86 | 2.16 |
| Low resolution limit | 60.86 | 60.88 | 2.2 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 7.2 | 6.4 | 7.3 |
| I/sigma | 9.7 | 33.4 | 0.9 |
| Rmerge | 0.162 | 0.039 | 2.239 |
| CC half | 0.998 | 0.999 | 0.335 |
| Anomalous completeness | 99.9 | 99.7 | 99.7 |
| 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, 112.0)
Distance:
200.0 -> 198.99
Spacegroup:
P 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.73 | 4.69 | 1.73 |
| Low resolution limit | 61.96 | 62.0 | 1.76 |
| Completeness | 97.2 | 100.0 | 76.7 |
| Multiplicity | 6.3 | 6.8 | 3.7 |
| I/sigma | 9.1 | 22.5 | 29.5 |
| Rmerge | 0.155 | 0.06 | 0.125 |
| CC half | 0.755 | 0.989 | 0.312 |
| Anomalous completeness | 97.3 | 100.0 | 76.7 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 48.744 | 60.706 | 123.919 | 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.
