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X-Ray Diffraction data from BAZ2B bromodomain in complex with acetylindole compound UZH47, source of 5E73 structure

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

Data Access Instructions

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


Cite this Dataset

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.

Download Citation

Dataset Description

native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Graziano LolliData Collector, DepositorUniversity of Zurich
Amedeo Caflisch, PIUniversity of Zurich

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

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 -> 194.19

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.49 4.04 1.49
Low resolution limit 57.7 57.74 1.52
Completeness 98.9 99.5 97.1
Multiplicity 6.2 6.1 6.1
I/sigma 7.1 23.6 -0.3
Rmerge 0.083 0.026 -6.582
CC half 0.999 0.999 0.423
Anomalous completeness 94.5 97.8 93.6
Anomalous multiplicity 3.3 3.3 3.3
Cell 57.7 83.09 96.41 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 -> 194.21

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.5 4.07 1.5
Low resolution limit 41.54 41.56 1.53
Completeness 98.9 99.7 96.7
Multiplicity 6.2 6.1 5.7
I/sigma 7.2 23.7 0.8
Rmerge 0.082 0.026 2.507
CC half 0.999 0.999 0.648
Anomalous completeness 94.5 97.9 88.3
Anomalous multiplicity 3.3 3.3 3.3
Cell 57.69 83.08 96.4 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, 126.74)

Distance:

195.0 -> 194.39

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.43 3.88 1.43
Low resolution limit 37.03 37.04 1.46
Completeness 99.7 100.0 96.8
Multiplicity 6.2 6.2 4.9
I/sigma 6.4 45.2 0.1
Rmerge 0.09 0.038 1.343
CC half 0.997 0.995 0.307
Anomalous completeness 98.7 99.7 87.1
Anomalous multiplicity 3.3 3.3 3.3
Cell 83.218 96.508 57.75 90.0 90.0 90.0

License and Terms of use

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.