Data DOI: 10.15785/SBGRID/257 | ID: 257
Publication DOI: 10.1021/acs.jmedchem.5b01757
5E74 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Caflisch Laboratory, University of Zurich
Release Date: 15 Apr 2016
1. If this dataset is locally available, it should be accessable at /programs/datagrid/257
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/257 .' (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/257 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/257 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/257 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 257 ; shasum -c files.sha'
Storage requirements: 2.8G
Biological Sample:
BAZ2B bromodomain in complex with acetylindole compound UZH50
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
beamline PXIII, Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland
Data Creation Date:
5 Jul 2015
Related Datasets:
None
Lolli, G; Caflisch, A. 2016. "X-Ray Diffraction data for: BAZ2B bromodomain in complex with acetylindole compound UZH50. PDB Code 5E74", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/257.
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 - 0.97942
Sweep:
SWEEP1
Files:
/programs/datagrid/257/b2s3_2_#####.cbf
Images:
1 - 1200
Beam:
(146.37, 118.85) -> (146.37, 118.84)
Distance:
170.01 -> 170.64
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.45 | 3.94 | 1.45 |
| Low resolution limit | 57.93 | 57.98 | 1.48 |
| Completeness | 98.8 | 97.7 | 99.1 |
| Multiplicity | 8.4 | 8.1 | 8.0 |
| I/sigma | 8.9 | 34.2 | 0.2 |
| Rmerge | 0.072 | 0.021 | 12.685 |
| CC half | 1.0 | 1.0 | 0.426 |
| Anomalous completeness | 96.4 | 94.6 | 96.7 |
| Anomalous multiplicity | 4.4 | 4.4 | 4.4 |
| Cell | 57.93 | 80.66 | 96.59 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97942
Sweep:
SWEEP1
Files:
/programs/datagrid/257/b2s3_2_#####.cbf
Images:
1 - 1200
Beam:
(146.37, 118.85) -> (146.37, 118.85)
Distance:
170.01 -> 170.7
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.45 | 3.94 | 1.45 |
| Low resolution limit | 61.92 | 61.98 | 1.48 |
| Completeness | 98.8 | 97.7 | 99.2 |
| Multiplicity | 8.4 | 8.1 | 8.0 |
| I/sigma | 8.9 | 34.0 | 0.2 |
| Rmerge | 0.072 | 0.021 | 13.226 |
| CC half | 1.0 | 1.0 | 0.413 |
| Anomalous completeness | 96.4 | 94.6 | 96.6 |
| Anomalous multiplicity | 4.4 | 4.4 | 4.4 |
| Cell | 57.93 | 80.67 | 96.6 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97942
Sweep:
SWEEP1
Files:
/programs/datagrid/257/b2s3_2_#####.cbf
Images:
1 - 1200
Beam:
(146.37, 118.85) -> (146.37, 118.86)
Distance:
170.01 -> 170.68
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.36 | 3.69 | 1.36 |
| Low resolution limit | 42.29 | 42.31 | 1.38 |
| Completeness | 98.9 | 100.0 | 85.0 |
| Multiplicity | 8.2 | 8.2 | 5.2 |
| I/sigma | 6.6 | 54.1 | 0.3 |
| Rmerge | 0.085 | 0.031 | 1.265 |
| CC half | 0.999 | 0.999 | 0.357 |
| Anomalous completeness | 98.2 | 99.4 | 78.9 |
| Anomalous multiplicity | 4.3 | 4.3 | 4.3 |
| Cell | 80.696 | 96.601 | 57.896 | 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.
