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
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
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.
highly redundant data set
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Hartmut H Niemann | Depositor | Bielefeld University, Department of Chemistry |
| Ann-Christin Moritzer | Data Collector | Bielefeld University, Department of Chemistry |
| Hartmut Niemann | PI | Bielefeld University |
Data were processed in XDS with a reference data set to achieve the same indexing orientation as in PDB ID 6H44.
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: 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.
