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

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Data DOI: 10.15785/SBGRID/351 | ID: 351

Pai Laboratory, University of Toronto

Release Date: Aug. 16, 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/351

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/351 .' (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/351 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/351 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/351 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 351 ; shasum -c files.sha'

Storage requirements: 1.5G

Biological Sample:

Fluoroacetate dehalogenase

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Home Source

Data Creation Date:

Jan. 8, 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/351.

Download Citation

Dataset Description

Fluoroacetate dehalogenase H280N with covalent intermediate in both subunits

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/351/PB1_screen_####.img

Images:

1 - 180

Beam:

(100.65, 100.03) -> (100.65, 100.04)

Distance:

-60.0 -> 59.97

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.43 3.88 1.43
Low resolution limit 28.6 28.6 1.45
Completeness 61.6 95.3 13.7
Multiplicity 3.1 3.5 2.9
I/sigma 13.1 29.1 1.0
Rmerge 0.046 0.028 0.834
CC half 0.998 0.998 0.42
Anomalous completeness 47.5 92.6 8.8
Anomalous multiplicity 1.8 1.8 1.8
Cell 41.776 79.033 85.13 90.0 103.231 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/351/PB1_screen_####.img

Images:

1 - 180

Beam:

(100.65, 100.03) -> (100.65, 99.98)

Distance:

-60.0 -> -60.01

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.4 3.8 1.4
Low resolution limit 26.35 26.36 1.42
Completeness 76.2 96.6 10.3
Multiplicity 3.7 3.6 2.4
I/sigma 16.7 43.0 0.9
Rmerge 0.041 0.019 0.898
CC half 0.999 0.999 0.408
Anomalous completeness 70.0 90.2 4.8
Anomalous multiplicity 2.0 2.0 2.0
Cell 41.79 79.06 85.14 90.0 103.23 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/351/PB1_screen_####.img

Images:

1 - 180

Beam:

(100.65, 100.03) -> (100.65, 100.0)

Distance:

-60.0 -> -60.02

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.4 3.8 1.4
Low resolution limit 41.44 41.46 1.42
Completeness 76.2 96.5 10.3
Multiplicity 3.7 3.6 2.4
I/sigma 16.7 43.0 0.9
Rmerge 0.041 0.019 0.903
CC half 0.999 0.999 0.402
Anomalous completeness 70.0 89.7 4.8
Anomalous multiplicity 2.0 2.0 2.0
Cell 41.79 79.06 85.14 90.0 103.23 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54178

Sweep:

SWEEP1

Files:

/programs/datagrid/351/PB1_screen_####.img

Images:

1 - 180

Beam:

(100.65, 100.03) -> (100.65, 99.99)

Distance:

-60.0 -> -60.05

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.4 3.8 1.4
Low resolution limit 57.24 57.29 1.42
Completeness 75.8 98.8 5.7
Multiplicity 3.7 3.7 1.7
I/sigma 13.4 31.9 0.8
Rmerge 0.05 0.023 0.634
CC half 0.998 0.998 0.529
Anomalous completeness 71.6 97.8 1.7
Anomalous multiplicity 1.9 1.9 1.9
Cell 41.806 79.082 85.212 90.0 103.21 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.