Data DOI: 10.15785/SBGRID/252 | ID: 252
Publication DOI: 10.1021/acs.jmedchem.5b01757
5E73 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Caflisch Laboratory, University of Zurich
Release Date: April 12, 2016
1. If this dataset is locally available, it should be accessable at /programs/datagrid/252
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/252 .' (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/252 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/252 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/252 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 252 ; shasum -c files.sha'
Storage requirements: 434M
Biological Sample:
BAZ2B bromodomain in complex with acetylindole compound UZH47
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
beamline XRD1, Elettra, Trieste, Italy
Data Creation Date:
May 5, 2015
Related Datasets:
None
Lolli, G; Caflisch, A. 2016. "X-Ray Diffraction data for: BAZ2B bromodomain in complex with acetylindole compound UZH47. PDB Code 5E73", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/252.
native dataset
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Graziano Lolli | Data Collector, Depositor | University of Zurich |
| Amedeo Caflisch | , PI | University of Zurich |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.915
Sweep:
SWEEP1
Files:
/programs/datagrid/252/b3s1_2_#####.cbf
Images:
1 - 180
Beam:
(141.56, 126.94) -> (141.56, 126.88)
Distance:
195.0 -> 194.55
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.61 | 4.37 | 1.61 |
| Low resolution limit | 41.5 | 41.51 | 1.64 |
| Completeness | 99.9 | 100.0 | 99.8 |
| Multiplicity | 5.5 | 5.7 | 5.5 |
| I/sigma | 8.9 | 23.9 | 1.5 |
| Rmerge | 0.09 | 0.036 | 0.856 |
| CC half | 0.995 | 0.995 | 0.831 |
| Anomalous completeness | 98.7 | 99.2 | 98.6 |
| Anomalous multiplicity | 2.9 | 2.9 | 2.9 |
| Cell | 83.001 | 96.36 | 57.741 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.915
Sweep:
SWEEP1
Files:
/programs/datagrid/252/b3s1_2_#####.cbf
Images:
1 - 180
Beam:
(141.56, 126.94) -> (141.56, 126.73)
Distance:
195.0 -> 194.16
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.65 | 4.48 | 1.65 |
| Low resolution limit | 41.56 | 41.57 | 1.68 |
| Completeness | 98.6 | 100.0 | 98.9 |
| Multiplicity | 6.2 | 6.2 | 6.6 |
| I/sigma | 9.6 | 24.3 | 1.0 |
| Rmerge | 0.066 | 0.023 | 1.865 |
| CC half | 0.999 | 0.999 | 0.721 |
| Anomalous completeness | 93.8 | 98.7 | 98.6 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 57.7 | 83.11 | 96.42 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.915
Sweep:
SWEEP1
Files:
/programs/datagrid/252/b3s1_2_#####.cbf
Images:
1 - 180
Beam:
(141.56, 126.94) -> (141.56, 126.73)
Distance:
195.0 -> 194.14
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.63 | 4.42 | 1.63 |
| Low resolution limit | 33.8 | 33.81 | 1.66 |
| Completeness | 98.9 | 100.0 | 99.2 |
| Multiplicity | 6.2 | 6.2 | 6.6 |
| I/sigma | 9.3 | 24.3 | 0.9 |
| Rmerge | 0.067 | 0.024 | 1.993 |
| CC half | 0.999 | 0.999 | 0.753 |
| Anomalous completeness | 94.2 | 98.8 | 98.9 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 57.7 | 83.1 | 96.42 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.915
Sweep:
SWEEP1
Files:
/programs/datagrid/252/b3s1_2_#####.cbf
Images:
1 - 180
Beam:
(141.56, 126.94) -> (141.56, 126.73)
Distance:
195.0 -> 194.39
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.62 | 4.4 | 1.62 |
| Low resolution limit | 41.58 | 41.6 | 1.65 |
| Completeness | 100.0 | 100.0 | 98.8 |
| Multiplicity | 6.2 | 6.1 | 6.4 |
| I/sigma | 9.4 | 23.3 | 1.2 |
| Rmerge | 0.068 | 0.03 | 0.652 |
| CC half | 0.997 | 0.996 | 0.93 |
| Anomalous completeness | 99.6 | 100.0 | 98.8 |
| Anomalous multiplicity | 3.2 | 3.2 | 3.2 |
| Cell | 83.165 | 96.485 | 57.731 | 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.
