X-Ray Diffraction data from Glucosamine kinase, source of 6HWL structure

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Data DOI: 10.15785/SBGRID/616 | ID: 616

Publication DOI: 10.1128/mBio.00239-19

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

Pereira Laboratory, IBMC/i3S, Universidade do Porto

Release Date: 14 May 2019

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/616

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/616 .' (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/616 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/616 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/616 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 616 ; shasum -c files.sha'

Storage requirements: 5.6G

Biological Sample:

Glucosamine kinase

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

ESRF ID30A3

Data Creation Date:

2 Mar 2017

Related Datasets:

None


Cite this Dataset

Manso, JA; Pereira, PJB. 2019. "X-Ray Diffraction data for: Glucosamine kinase. PDB Code 6HWL", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/616.

Download Citation

Dataset Description

X-Ray Diffraction data from S. jiangxiensis GlcNK, source of 6HWL structure

Project Members

Name Additional Roles Affiliation While Working on the Project
Pedro JB PereiraDepositorIBMC - Instituto de Biologia Molecular e Celular
Jose A MansoData CollectorIBMC - Instituto de Biologia Molecular e Celular
Pedro PereiraPIUniversidade do Porto

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//616/ 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//616/ 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//616/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9677

Sweep:

SWEEP1

Files:

/programs/datagrid/616/GLUK01-095_w1_2_1_master.h5

Images:

1 - 3600

Beam:

(81.61, 77.19) -> (81.61, 76.92)

Distance:

127.51 -> 126.37

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.96 5.32 1.96
Low resolution limit 48.65 48.66 1.99
Completeness 98.3 100.0 96.7
Multiplicity 7.2 7.3 7.4
I/sigma 9.9 51.4 0.4
Rmerge 0.121 0.038 3.761
CC half 0.998 0.997 0.162
Anomalous completeness 98.3 99.8 96.7
Anomalous multiplicity 3.7 3.7 3.7
Cell 58.739 97.3 80.132 90.0 107.382 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.