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
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
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.
Native dataset
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Michael Järvå | Data Collector, Depositor | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. |
| Mark D Hulett | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. | |
| Cassandra Humble | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. | |
| Marc Kvansakul | Data Collector | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. |
| Fung T Lay | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. | |
| Than K Phan | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. | |
| Ivan Poon | Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. | |
| Marc Kvansakul | PI | La Trobe University |
As assessed on radiation damage, only 75 frames were indexed, integrated, scaled and merged.
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 | 2.19 | 5.94 | 2.19 |
| Low resolution limit | 67.96 | 67.99 | 2.23 |
| Completeness | 99.7 | 97.7 | 99.9 |
| Multiplicity | 4.9 | 4.8 | 5.0 |
| I/sigma | 6.2 | 21.7 | 0.7 |
| Rmerge | 0.25 | 0.048 | 2.345 |
| CC half | 0.99 | 0.999 | 0.384 |
| Anomalous completeness | 97.8 | 95.1 | 98.8 |
| 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 | 2.19 | 5.94 | 2.19 |
| Low resolution limit | 45.3 | 45.31 | 2.23 |
| Completeness | 99.7 | 97.8 | 99.9 |
| Multiplicity | 4.9 | 4.8 | 5.0 |
| I/sigma | 6.2 | 21.7 | 0.7 |
| Rmerge | 0.25 | 0.048 | 2.338 |
| CC half | 0.99 | 0.999 | 0.371 |
| Anomalous completeness | 97.8 | 95.1 | 98.9 |
| Anomalous multiplicity | 2.6 | 2.6 | 2.6 |
| Cell | 114.13 | 154.84 | 135.91 | 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 -> 298.53
Spacegroup:
P 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 3.75 | 10.18 | 3.75 |
| Low resolution limit | 135.68 | 135.77 | 3.81 |
| Completeness | 84.6 | 80.6 | 84.2 |
| Multiplicity | 3.0 | 3.1 | 2.9 |
| I/sigma | 20.2 | 42.2 | 14.4 |
| Rmerge | 0.094 | 0.044 | 0.122 |
| CC half | 0.947 | 0.957 | 0.735 |
| Anomalous completeness | 73.8 | 77.2 | 71.3 |
| Anomalous multiplicity | 1.6 | 1.6 | 1.6 |
| Cell | 95.958 | 135.679 | 96.154 | 90.0 | 107.169 | 90.0 |
|---|
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.
