X-Ray Diffraction data from Nicotiana alata defensin 1 in complex with phosphatidic acid, source of 6B55 structure

Data DOI: 10.15785/SBGRID/530 | ID: 530

Publication DOI: 10.1038/s41467-018-04434-y

6B55 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Kvansakul Laboratory, La Trobe University

Release Date: 15 May 2018

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/530

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/530 .' (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/530 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/530 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/530 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 530 ; shasum -c files.sha'

Storage requirements: 2.2G

Biological Sample:

Nicotiana alata defensin 1 in complex with phosphatidic acid

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Australian Synchrotron (MX2)

Data Creation Date:

9 Jul 2016

Related Datasets:

None


Cite this Dataset

Järvå, M; Hulett, MD; Humble, C; Lay, FT; Phan, TK; Poon, I; Kvansakul, M. 2018. "X-Ray Diffraction data for: Nicotiana alata defensin 1 in complex with phosphatidic acid. PDB Code 6B55", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/530.

Download Citation

Dataset Description

Native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Michael JärvåData Collector, DepositorDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Mark D HulettDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Cassandra HumbleDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Marc KvansakulData CollectorDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Fung T LayDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Than K PhanDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Ivan PoonDepartment of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
Marc KvansakulPILa Trobe University

Reprocessing Instructions

As assessed on radiation damage, only 75 frames were indexed, integrated, scaled and merged.

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9537

Sweep:

SWEEP1

Files:

/programs/datagrid/530/NAD1_PA_H8_1_###.img

Images:

1 - 120

Beam:

(158.81, 157.73) -> (158.81, 157.72)

Distance:

300.04 -> 299.71

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.33 6.32 2.33
Low resolution limit 67.96 67.99 2.37
Completeness 99.6 97.6 100.0
Multiplicity 4.9 4.8 5.0
I/sigma 7.2 22.4 1.0
Rmerge 0.206 0.046 1.656
CC half 0.992 0.998 0.576
Anomalous completeness 97.6 95.3 99.1
Anomalous multiplicity 2.6 2.6 2.6
Cell 114.14 154.84 135.92 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9537

Sweep:

SWEEP1

Files:

/programs/datagrid/530/NAD1_PA_H8_1_###.img

Images:

1 - 120

Beam:

(158.81, 157.73) -> (158.81, 157.72)

Distance:

300.04 -> 299.54

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.35 6.37 2.35
Low resolution limit 45.31 45.32 2.39
Completeness 99.6 97.6 100.0
Multiplicity 4.9 4.8 5.0
I/sigma 7.4 22.6 1.0
Rmerge 0.201 0.045 1.613
CC half 0.992 0.999 0.577
Anomalous completeness 97.6 95.4 99.0
Anomalous multiplicity 2.6 2.6 2.6
Cell 114.13 154.84 135.92 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9537

Sweep:

SWEEP1

Files:

/programs/datagrid/530/NAD1_PA_H8_1_###.img

Images:

1 - 120

Beam:

(158.81, 157.73) -> (158.81, 157.71)

Distance:

300.04 -> 298.9

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.44 6.62 2.44
Low resolution limit 39.09 39.1 2.48
Completeness 98.4 97.6 80.9
Multiplicity 4.7 4.9 3.5
I/sigma 6.3 13.6 1.8
Rmerge 0.176 0.053 0.663
CC half 0.991 0.998 0.504
Anomalous completeness 94.4 97.1 67.3
Anomalous multiplicity 2.5 2.5 2.5
Cell 114.171 154.758 135.892 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.