X-Ray Diffraction data from SpyTag/SpyCatcher, source of 4MLI structure

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Data DOI: 10.15785/SBGRID/90 | ID: 90

Publication DOI: 10.1016/j.jmb.2013.10.021

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

Rapoport Laboratory, Harvard Medical School

Release Date: 19 May 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/90

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/90 .' (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/90 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/90 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/90 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 90 ; shasum -c files.sha'

Storage requirements: 1.1G

Biological Sample:

SpyTag/SpyCatcher

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

APS NE-CAT ID-C

Data Creation Date:

11 Oct 2012

Related Datasets:

None


Cite this Dataset

Li, L; Rapoport, T. 2015. "X-Ray Diffraction data for: SpyTag/SpyCatcher. PDB Code 4MLI", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/90.

Download Citation

Dataset Description

Native data

Project Members

Name Additional Roles Affiliation While Working on the Project
Long LiData Collector, DepositorHarvard Medical School
Tom RapoportPIHarvard Medical School

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

xia2 -2d

xia2 -3d

xia2 -3dii

xia2 -dials
/programs/x86_64-linux/dials/3.12.0/bin.capsules//xia2 pipeline=3d /programs/datagrid//90/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.

/programs/x86_64-linux/dials/3.12.0/bin.capsules//xia2 pipeline=3dii /programs/datagrid//90/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Reprocessing failed.

/programs/x86_64-linux/dials/3.12.0/bin.capsules//xia2 pipeline=dials /programs/datagrid//90/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9792

Sweep:

SWEEP1

Files:

/programs/datagrid/90/F4_1_1_####.cbf

Images:

1 - 180

Beam:

(219.02, 217.69) -> (219.02, 221.65)

Distance:

350.0 -> 352.88

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.88 5.09 1.88
Low resolution limit 38.44 38.44 1.91
Completeness 86.7 91.3 85.9
Multiplicity 1.9 1.9 1.9
I/sigma 6.9 24.4 0.8
Rmerge 0.089 0.041 0.215
CC half 0.195 0.277 0.113
Anomalous completeness 61.5 76.0 56.1
Anomalous multiplicity 1.1 1.1 1.1
Cell 31.739 38.69 44.693 83.513 78.306 89.689

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.