X-Ray Diffraction data from CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7 , source of 4YGA structure

Data DOI: 10.15785/SBGRID/219 | ID: 219

Publication DOI: 10.1073/pnas.1505914112

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

Schwartz Laboratory, Massachusetts Institute of Technology

Release Date: Jan. 15, 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/219

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/219 .' (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/219 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/219 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/219 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 219 ; shasum -c files.sha'

Storage requirements: 4.7G

Biological Sample:

CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

beamline 24-ID-C, NE-CAT, APS, Chicago, IL

Data Creation Date:

Dec. 14, 2013

Related Datasets:

220


Cite this Dataset

Knockenhauer, KE; Schwartz, T. 2016. "X-Ray Diffraction data for: CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7 . PDB Code 4YGA", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/219.

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Dataset Description

Native data.

Project Members

Name Additional Roles Affiliation While Working on the Project
Kevin E KnockenhauerData Collector, DepositorMassachusetts Institute of Technology
Thomas SchwartzPIMassachusetts Institute of Technology

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP2

Files:

/programs/datagrid/219/TgC1_5_12_2_####.cbf

Images:

1 - 400

Beam:

(216.6, 220.62) -> (216.6, 220.74)

Distance:

600.0 -> 603.67

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.2 8.68 3.2
Low resolution limit 100.58 100.63 3.26
Completeness 86.1 87.5 82.9
Multiplicity 3.5 3.8 3.4
I/sigma 3.1 5.0 1.2
Rmerge 0.185 0.116 0.549
CC half 0.962 0.97 0.768
Anomalous completeness 72.0 74.7 70.4
Anomalous multiplicity 1.9 1.9 1.9
Cell 76.151 91.126 106.365 88.436 71.068 89.412

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP2

Files:

/programs/datagrid/219/TgC1_5_12_2_####.cbf

Images:

1 - 400

Beam:

(216.6, 220.62) -> (216.6, 220.67)

Distance:

600.0 -> 603.91

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.87 7.79 2.87
Low resolution limit 100.9 100.96 2.92
Completeness 91.9 91.8 85.5
Multiplicity 3.9 4.0 2.2
I/sigma 6.6 12.7 1.2
Rmerge 0.091 0.048 0.535
CC half 0.996 0.996 0.693
Anomalous completeness 84.7 84.6 70.6
Anomalous multiplicity 2.0 2.0 2.0
Cell 76.797 90.926 106.287 88.633 71.717 89.613

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.