Data DOI: 10.15785/SBGRID/988 | ID: 988
Publication DOI: 10.1371/journal.pone.0196797
6FRL Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Niemann Laboratory, Bielefeld University
Release Date: 3 Feb 2023
1. If this dataset is locally available, it should be accessable at /programs/datagrid/988
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/988 .' (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/988 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/988 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/988 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 988 ; shasum -c files.sha'
Storage requirements: 4.4G
Biological Sample:
BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
beamline ID30-A3 / MASSIF-3, European Synchrotron Radiation Facility (ESRF)
Data Creation Date:
2 Jun 2017
Related Datasets:
None
Widmann, C; Niemann, HH. 2023. "X-Ray Diffraction data for: BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3. PDB Code 6FRL", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/988.
native data
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Hartmut H Niemann | Depositor | Bielefeld University, Department of Chemistry |
| Christiane Widmann | Data Collector | Bielefeld University, Department of Chemistry |
| Hartmut Niemann | PI | Bielefeld University |
There are two runs of 1800 images each collected from the same crystal under identical settings. Run1 has the image root 164A-9_w1_1_ Run2 has the image root 164A-9_w1_2_ Both runs were scaled together with XSCALE. The XDS.INP files generated by the beamline are given as template in the processing bundle.
Version:
version unreported
Reprocessing failed.
Version:
version unreported
Reprocessing failed.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9677
Sweep:
SWEEP2
Files:
/programs/datagrid/988/164A-9_w1_2_1_master.h5
Images:
1 - 1800
Beam:
(81.72, 77.24) -> (81.72, 76.79)
Distance:
188.16 -> 186.72
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.08 | 5.64 | 2.08 |
| Low resolution limit | 53.62 | 53.64 | 2.12 |
| Completeness | 82.6 | 99.5 | 35.7 |
| Multiplicity | 11.1 | 11.1 | 10.4 |
| I/sigma | 9.4 | 35.4 | 0.7 |
| Rmerge | 0.218 | 0.065 | 2.045 |
| CC half | 0.994 | 0.998 | 0.43 |
| Anomalous completeness | 81.8 | 99.2 | 34.7 |
| Anomalous multiplicity | 5.7 | 5.7 | 5.7 |
| Cell | 179.285 | 87.656 | 69.605 | 90.0 | 99.076 | 90.0 |
|---|
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.
