X-Ray Diffraction data from Brd4 in complex with compound 32, source of structure

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Data DOI: 10.15785/SBGRID/184 | ID: 184

Publication DOI: 10.1021/jm501120z

Blacklow Laboratory, Harvard Medical School

Release Date: Oct. 23, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/184

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/184 .' (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/184 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/184 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/184 .' (Shanghai Institutes for Biological Sciences, China)

3. After the transfer is completed, please issue the following command to verify data integrity:

'cd 184 ; shasum -c files.sha'

Storage requirements: 1.8G

Biological Sample:

Brd4 in complex with compound 32

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

24-ID-E, NE-CAT, APS, Chicago, IL.

Data Creation Date:

Feb. 20, 2014

Related Datasets:

None


Cite this Dataset

Xu, X; Blacklow, s; Blacklow, S. 2015. "X-Ray Diffraction data for: Brd4 in complex with compound 32.", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/184.

Download Citation

Dataset Description

Native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Xiang XuData Collector, DepositorHarvard Medical School/Dana-Farber Cancer Institute
stephen BlacklowHarvard Medical School/Dana-Farber Cancer Institute
Stephen BlacklowPIHarvard Medical School

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP1

Files:

/programs/datagrid/184/17_9_1_###.img

Images:

1 - 100

Beam:

(154.15, 159.01) -> (154.15, 159.06)

Distance:

200.0 -> 199.6

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.51 4.1 1.51
Low resolution limit 49.22 49.24 1.54
Completeness 100.0 100.0 100.0
Multiplicity 3.8 3.6 3.6
I/sigma 5.3 11.9 1.1
Rmerge 0.121 0.079 0.961
CC half 0.987 0.987 0.359
Anomalous completeness 94.5 97.9 94.9
Anomalous multiplicity 2.1 2.1 2.1
Cell 43.604 49.217 60.942 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP1

Files:

/programs/datagrid/184/17_9_1_###.img

Images:

1 - 100

Beam:

(154.15, 159.01) -> (154.15, 159.12)

Distance:

200.0 -> 199.63

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.49 4.04 1.49
Low resolution limit 35.47 35.48 1.52
Completeness 99.5 98.5 100.0
Multiplicity 3.9 3.6 3.5
I/sigma 9.0 24.9 1.0
Rmerge 0.081 0.037 1.192
CC half 0.997 0.995 0.374
Anomalous completeness 93.4 90.4 94.5
Anomalous multiplicity 2.1 2.1 2.1
Cell 43.59 49.24 61.03 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP1

Files:

/programs/datagrid/184/17_9_1_###.img

Images:

1 - 100

Beam:

(154.15, 159.01) -> (154.15, 159.14)

Distance:

200.0 -> 199.7

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.49 4.04 1.49
Low resolution limit 30.51 30.52 1.52
Completeness 99.5 98.6 100.0
Multiplicity 3.9 3.6 3.5
I/sigma 8.9 24.2 1.0
Rmerge 0.081 0.038 1.173
CC half 0.996 0.993 0.375
Anomalous completeness 93.6 91.4 94.6
Anomalous multiplicity 2.1 2.1 2.1
Cell 43.59 49.24 61.03 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP1

Files:

/programs/datagrid/184/17_9_1_###.img

Images:

1 - 100

Beam:

(154.15, 159.01) -> (154.15, 159.11)

Distance:

200.0 -> 199.54

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.8 4.89 1.8
Low resolution limit 49.18 49.2 1.83
Completeness 81.1 99.3 0.3
Multiplicity 3.5 3.6 1.0
I/sigma 6.8 9.1 1.4
Rmerge 0.119 0.128 0.0
CC half 0.966 0.967 0.0
Anomalous completeness 71.6 98.7 0.0
Anomalous multiplicity 2.0 2.0 2.0
Cell 43.479 49.184 61.015 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.