X-Ray Diffraction data from NaD1:PIP2, source of 4CQK structure

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Data DOI: 10.15785/SBGRID/57 | ID: 57

4CQK Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Kvansakul Laboratory, La Trobe University

Release Date: May 7, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/57

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/57 .' (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/57 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/57 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/57 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 57 ; shasum -c files.sha'

Storage requirements: 6.4G

Biological Sample:

NaD1:PIP2

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

Australian Synchrotron MX2 beamline

Data Creation Date:

March 3, 2011

Related Datasets:

None


Cite this Dataset

Kvansakul, M. 2015. "X-Ray Diffraction data for: NaD1:PIP2. PDB Code 4CQK", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/57.

Download Citation

Dataset Description

Native dataset collected at 0.9537 A wavelength, full 360 degrees at 1 degree oscillation.

Project Members

Name Additional Roles Affiliation While Working on the Project
Marc KvansakulData Collector, Depositor, PILa Trobe University

Reprocessing Instructions

Standard processing using XDS followed by Aimless in C2.

Reprocessing Data

About Reprocessing

xia2 -2d

xia2 -3d

xia2 -3dii

xia2 -dials
/programs/x86_64-linux/dials/1.11.4/dials-1.11.4/build/bin/xia2 pipeline=2d mosflm_beam_centre=148.097610,150.745148 /programs/datagrid//57/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.

/programs/x86_64-linux/dials/1.11.4/dials-1.11.4/build/bin/xia2 pipeline=3d mosflm_beam_centre=148.097610,150.745148 /programs/datagrid//57/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.

/programs/x86_64-linux/dials/1.11.4/dials-1.11.4/build/bin/xia2 pipeline=3dii mosflm_beam_centre=148.097610,150.745148 /programs/datagrid//57/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.

/programs/x86_64-linux/dials/1.11.4/dials-1.11.4/build/bin/xia2 pipeline=dials mosflm_beam_centre=148.097610,150.745148 /programs/datagrid//57/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9537

Sweep:

SWEEP1

Files:

/programs/datagrid/57/HI_1_###.img

Images:

1 - 360

Beam:

(148.1, 150.75) -> (148.1, 151.03)

Distance:

239.96 -> 245.07

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.81 10.34 3.81
Low resolution limit 154.94 155.07 3.87
Completeness 98.0 99.3 82.4
Multiplicity 1.8 1.8 1.7
I/sigma 0.4 0.3 0.3
Rmerge 0.886 1.106 0.896
CC half 0.019 0.021 -0.038
Anomalous completeness 78.1 80.7 54.1
Anomalous multiplicity 1.0 1.0 1.0
Cell 75.845 75.845 154.938 90.0 90.0 64.872

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.