X-Ray Diffraction data from BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3, source of 6FRL structure

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: Feb. 3, 2023

Data Access Instructions

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:

June 2, 2017

Related Datasets:

None


Cite this Dataset

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.

Download Citation

Dataset Description

native data

Project Members

Name Additional Roles Affiliation While Working on the Project
Hartmut H NiemannDepositorBielefeld University, Department of Chemistry
Christiane WidmannData CollectorBielefeld University, Department of Chemistry
Hartmut NiemannPIBielefeld University

Reprocessing Instructions

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.

Processing Bundle

Reprocessing Data

About Reprocessing

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 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.