X-Ray Diffraction data from BAZ2B bromodomain in complex with acetylindole compound UZH50, source of 5E74 structure

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: April 15, 2016

Data Access Instructions

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:

July 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 UZH50. PDB Code 5E74", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/257.

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 - 0.97942

Sweep:

SWEEP1

Files:

/programs/datagrid/257/b2s3_2_#####.cbf

Images:

1 - 1200

Beam:

(146.37, 118.85) -> (146.37, 118.9)

Distance:

170.01 -> 170.9

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.56 4.23 1.56
Low resolution limit 42.29 42.3 1.59
Completeness 100.0 100.0 100.0
Multiplicity 7.7 7.8 7.2
I/sigma 10.7 29.4 1.1
Rmerge 0.078 0.035 1.191
CC half 0.998 0.999 0.779
Anomalous completeness 99.3 99.0 99.5
Anomalous multiplicity 4.0 4.0 4.0
Cell 80.773 96.506 57.867 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 -> 170.85

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.63 4.42 1.63
Low resolution limit 61.92 61.96 1.66
Completeness 98.7 98.9 99.9
Multiplicity 8.3 8.4 8.6
I/sigma 12.4 35.0 1.3
Rmerge 0.053 0.019 1.697
CC half 1.0 1.0 0.78
Anomalous completeness 96.0 97.0 99.6
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, 118.85)

Distance:

170.01 -> 170.68

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.63 4.42 1.63
Low resolution limit 61.92 61.96 1.66
Completeness 98.7 98.9 99.9
Multiplicity 8.3 8.4 8.6
I/sigma 12.4 34.9 1.3
Rmerge 0.053 0.019 1.701
CC half 1.0 1.0 0.776
Anomalous completeness 96.0 97.1 99.6
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 -> 170.67

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.55 4.21 1.55
Low resolution limit 61.92 61.97 1.58
Completeness 99.9 100.0 98.8
Multiplicity 8.2 8.2 8.2
I/sigma 13.6 45.1 1.2
Rmerge 0.053 0.026 0.839
CC half 0.996 0.998 0.92
Anomalous completeness 99.5 99.4 98.5
Anomalous multiplicity 4.3 4.3 4.3
Cell 80.688 96.593 57.889 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.