X-Ray Diffraction data from Flavin-dependent tryptophan 6-halogenase Thal in complex with D-Trp, source of 8AD7 structure

Data DOI: 10.15785/SBGRID/951 | ID: 951

Publication DOI: 10.1002/cbic.202200569

8AD7 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Niemann Laboratory, Bielefeld University

Release Date: 21 Oct 2022

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/951

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/951 .' (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/951 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/951 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/951 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 951 ; shasum -c files.sha'

Storage requirements: 21G

Biological Sample:

Flavin-dependent tryptophan 6-halogenase Thal in complex with D-Trp

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

beamline P13, operated by EMBL Hamburg at the PETRA III storage ring (DESY, Hamburg, Germany)

Data Creation Date:

28 Nov 2017

Related Datasets:

None


Cite this Dataset

Moritzer, A; Niemann, HH. 2022. "X-Ray Diffraction data for: Flavin-dependent tryptophan 6-halogenase Thal in complex with D-Trp. PDB Code 8AD7", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/951.

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Dataset Description

highly redundant data set

Project Members

Name Additional Roles Affiliation While Working on the Project
Hartmut H NiemannDepositorBielefeld University, Department of Chemistry
Ann-Christin MoritzerData CollectorBielefeld University, Department of Chemistry
Hartmut NiemannPIBielefeld University

Reprocessing Instructions

Data were processed in XDS with a reference data set to achieve the same indexing orientation as in PDB ID 6H44.

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.91636

Sweep:

SWEEP1

Files:

/programs/datagrid/951/acm020_2_w1_1_#####.cbf

Images:

1 - 3600

Beam:

(215.7, 210.4) -> (215.7, 211.8)

Distance:

471.61 -> 472.35

Spacegroup:

P 62

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.19 5.94 2.19
Low resolution limit 34.73 34.73 2.23
Completeness 100.0 100.0 100.0
Multiplicity 20.9 20.4 21.5
I/sigma 11.3 29.0 0.7
Rmerge 0.134 0.098 3.588
CC half 0.998 0.997 0.357
Anomalous completeness 100.0 100.0 99.9
Anomalous multiplicity 10.6 10.6 10.6
Cell 138.91 138.91 142.6 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.91636

Sweep:

SWEEP1

Files:

/programs/datagrid/951/acm020_2_w1_1_#####.cbf

Images:

1 - 3600

Beam:

(215.7, 210.4) -> (215.7, 211.8)

Distance:

471.61 -> 472.32

Spacegroup:

P 62

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.2 5.97 2.2
Low resolution limit 39.23 39.23 2.24
Completeness 100.0 100.0 100.0
Multiplicity 20.9 20.4 21.5
I/sigma 11.5 29.0 0.7
Rmerge 0.134 0.097 3.462
CC half 0.998 0.997 0.375
Anomalous completeness 100.0 100.0 99.9
Anomalous multiplicity 10.6 10.6 10.6
Cell 138.91 138.91 142.6 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.91636

Sweep:

SWEEP1

Files:

/programs/datagrid/951/acm020_2_w1_1_#####.cbf

Images:

1 - 3600

Beam:

(215.7, 210.4) -> (215.7, 211.8)

Distance:

471.61 -> 472.24

Spacegroup:

P 62

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.12 5.76 2.12
Low resolution limit 142.62 142.94 2.16
Completeness 100.0 100.0 100.0
Multiplicity 20.7 20.2 19.2
I/sigma 10.5 35.9 0.3
Rmerge 0.133 0.1 3.682
CC half 0.997 0.996 0.358
Anomalous completeness 100.0 100.0 100.0
Anomalous multiplicity 10.5 10.5 10.5
Cell 138.933 138.933 142.617 90.0 90.0 120.0

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.