X-Ray Diffraction data from horse liver alcohol dehydrogenase G173A with NAD and pentafluorobenzyl alcohol at 1.2 A , 85 K, source of 5KJ1 structure

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Data DOI: 10.15785/SBGRID/900 | ID: 900

5KJ1 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Plapp Laboratory, University of Iowa

Release Date: 5 Apr 2022

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/900

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/900 .' (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/900 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/900 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/900 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 900 ; shasum -c files.sha'

Storage requirements: 14G

Biological Sample:

horse liver alcohol dehydrogenase G173A with NAD and pentafluorobenzyl alcohol at 1.2 A , 85 K

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

APS19-ID

Data Creation Date:

24 Jun 2009

Related Datasets:

None


Cite this Dataset

Plapp, Bv. 2022. "X-Ray Diffraction data for: horse liver alcohol dehydrogenase G173A with NAD and pentafluorobenzyl alcohol at 1.2 A , 85 K. PDB Code 5KJ1", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/900.

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Dataset Description

two passes, phi = 0 and 180

Project Members

Name Additional Roles Affiliation While Working on the Project
Bryce v PlappData Collector, DepositorThe University of Iowa
Bryce PlappPIUniversity of Iowa

Reprocessing Instructions

beam center 1577.1 x 1521.2

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//900/ 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//900/ 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//900/ verbose=True multiprocessing.nproc=1 atom=X

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9184

Sweep:

SWEEP2

Files:

/programs/datagrid/900/173A1_2.####.img

Images:

1 - 380

Beam:

(154.78, 160.27) -> (154.78, 161.5)

Distance:

130.0 -> 129.65

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.04 2.82 1.04
Low resolution limit 89.42 89.75 1.06
Completeness 92.0 99.2 61.1
Multiplicity 4.1 4.2 3.9
I/sigma 10.6 66.8 0.1
Rmerge 0.063 0.042 3.053
CC half 0.992 0.986 0.387
Anomalous completeness 90.3 99.0 55.2
Anomalous multiplicity 2.1 2.1 2.1
Cell 44.302 51.508 92.441 91.803 103.031 110.154

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.