X-Ray Diffraction data from Fluoroacetate dehalogenase, source of structure

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Data DOI: 10.15785/SBGRID/350 | ID: 350

Pai Laboratory, University of Toronto

Release Date: 16 Aug 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/350

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/350 .' (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/350 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/350 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/350 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 350 ; shasum -c files.sha'

Storage requirements: 2.9G

Biological Sample:

Fluoroacetate dehalogenase

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Home Source

Data Creation Date:

8 Jan 2014

Related Datasets:

None


Cite this Dataset

Mehrabi, P; Pai, E. 2016. "X-Ray Diffraction data for: Fluoroacetate dehalogenase.", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/350.

Download Citation

Dataset Description

Fluoroacetate dehalogenase H280N with covalent intermediate in 1 subunit

Project Members

Name Additional Roles Affiliation While Working on the Project
Pedram MehrabiData Collector, DepositorPhD Student
Emil PaiPIUniversity of Toronto

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/350/PG110_screen_####.img

Images:

1 - 360

Beam:

(100.56, 100.08) -> (100.56, 100.13)

Distance:

-60.0 -> 59.79

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.49 4.04 1.49
Low resolution limit 36.8 36.81 1.52
Completeness 91.4 98.9 58.0
Multiplicity 3.6 3.4 2.7
I/sigma 13.4 33.3 0.9
Rmerge 0.049 0.021 0.66
CC half 0.998 0.999 0.635
Anomalous completeness 71.2 90.4 30.0
Anomalous multiplicity 2.0 2.0 2.0
Cell 41.813 79.579 85.206 90.0 103.053 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/350/PG110_screen_####.img

Images:

1 - 360

Beam:

(100.56, 100.08) -> (100.56, 100.06)

Distance:

-60.0 -> -59.77

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.48 4.01 1.48
Low resolution limit 26.91 26.92 1.51
Completeness 89.1 96.8 53.4
Multiplicity 3.6 3.7 2.7
I/sigma 11.3 27.4 0.9
Rmerge 0.049 0.019 1.027
CC half 0.999 0.999 0.432
Anomalous completeness 67.3 90.2 26.9
Anomalous multiplicity 2.1 2.1 2.1
Cell 83.66 79.64 86.02 90.0 105.2 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/350/PG110_screen_####.img

Images:

1 - 360

Beam:

(100.56, 100.08) -> (100.56, 100.06)

Distance:

-60.0 -> -59.82

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.44 3.91 1.44
Low resolution limit 41.51 41.53 1.46
Completeness 85.8 95.9 37.0
Multiplicity 3.6 3.6 2.2
I/sigma 17.3 42.8 1.1
Rmerge 0.034 0.018 0.674
CC half 0.999 0.999 0.443
Anomalous completeness 63.7 86.8 15.3
Anomalous multiplicity 2.1 2.1 2.1
Cell 41.84 79.62 85.23 90.0 103.08 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/350/PG110_screen_####.img

Images:

1 - 360

Beam:

(100.56, 100.08) -> (100.56, 100.06)

Distance:

-60.0 -> -59.81

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.47 3.99 1.47
Low resolution limit 57.47 57.52 1.5
Completeness 89.0 97.7 44.0
Multiplicity 3.5 3.5 2.5
I/sigma 7.2 14.1 0.9
Rmerge 0.081 0.047 0.535
CC half 0.992 0.994 0.592
Anomalous completeness 68.0 92.2 20.4
Anomalous multiplicity 2.0 2.0 2.0
Cell 83.666 79.634 86.03 90.0 105.189 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.