X-Ray Diffraction data from horse liver alcohol dehydrogenase complexed with NAD and trifluoroethanol at 1.1 A and 100 K, source of 4DXH structure

Data DOI: 10.15785/SBGRID/890 | ID: 890

Publication DOI: 10.1021/bi300376n

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

Plapp Laboratory, University of Iowa

Release Date: April 5, 2022

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/890

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/890 .' (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/890 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/890 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/890 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 890 ; shasum -c files.sha'

Storage requirements: 14G

Biological Sample:

horse liver alcohol dehydrogenase complexed with NAD and trifluoroethanol at 1.1 A and 100 K

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

APS19-ID

Data Creation Date:

June 25, 2009

Related Datasets:

None


Cite this Dataset

Plapp, BV; Plapp, B. 2022. "X-Ray Diffraction data for: horse liver alcohol dehydrogenase complexed with NAD and trifluoroethanol at 1.1 A and 100 K. PDB Code 4DXH", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/890.

Download Citation

Dataset Description

two passes, at phi = 0 and 180

Project Members

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

Reprocessing Instructions

beam center 1577.1 X 1521.2

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9184

Sweep:

SWEEP1

Files:

/programs/datagrid/890/tfe6_9.####.img

Images:

1 - 380

Beam:

(154.78, 160.27) -> (154.78, 161.65)

Distance:

130.0 -> 117.72

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 0.82 2.23 0.82
Low resolution limit 25.05 25.06 0.83
Completeness 46.3 97.0 0.4
Multiplicity 1.5 1.9 1.0
I/sigma 0.1 0.3 -0.1
Rmerge 0.896 0.76 0.0
CC half 0.116 0.043 0.0
Anomalous completeness 18.6 77.6 0.0
Anomalous multiplicity 1.1 1.1 1.1
Cell 39.2 41.14 76.73 80.47 80.26 67.68

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9184

Sweep:

SWEEP1

Files:

/programs/datagrid/890/tfe6_9.####.img

Images:

1 - 380

Beam:

(154.78, 160.27) -> (154.78, 161.1)

Distance:

130.0 -> 123.34

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 0.82 2.23 0.82
Low resolution limit 24.63 24.64 0.83
Completeness 29.2 93.0 0.1
Multiplicity 1.3 1.9 1.0
I/sigma 0.1 0.2 0.1
Rmerge 1.089 1.039 0.0
CC half 0.004 -0.006 0.0
Anomalous completeness 7.8 69.3 0.0
Anomalous multiplicity 1.0 1.0 1.0
Cell 79.27 79.44 137.31 93.86 102.95 107.15

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.9184

Sweep:

SWEEP1

Files:

/programs/datagrid/890/tfe6_9.####.img

Images:

1 - 380

Beam:

(154.78, 160.27) -> (154.78, 161.54)

Distance:

130.0 -> 129.7

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 0.98 2.66 0.98
Low resolution limit 89.47 89.85 1.0
Completeness 81.4 93.8 24.8
Multiplicity 2.1 2.0 1.9
I/sigma 9.1 63.3 0.1
Rmerge 0.053 0.023 1.666
CC half 0.988 0.976 0.32
Anomalous completeness 59.0 83.0 13.3
Anomalous multiplicity 1.2 1.2 1.2
Cell 44.246 51.175 92.518 91.939 103.015 109.91

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.