Data DOI: 10.15785/SBGRID/987 | ID: 987
Publication DOI: 10.1107/S2053230X2100738X
7B1Z Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Niemann Laboratory, Bielefeld University
Release Date: 7 Feb 2023
1. If this dataset is locally available, it should be accessable at /programs/datagrid/987
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/987 .' (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/987 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/987 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/987 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 987 ; shasum -c files.sha'
Storage requirements: 13G
Biological Sample:
Virulence-associated protein VapB from the intracellular pathogen Rhodococcus equi
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
beamline P14, operated by EMBL Hamburg at the PETRA III storage ring (DESY, Hamburg, Germany)
Data Creation Date:
6 Oct 2012
Related Datasets:
None
Niemann, HH. 2023. "X-Ray Diffraction data for: Virulence-associated protein VapB from the intracellular pathogen Rhodococcus equi. PDB Code 7B1Z", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/987.
native data
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Hartmut H Niemann | Data Collector, Depositor | Bielefeld University, Department of Chemistry |
| Hartmut Niemann | PI | Bielefeld University |
The folder contains two runs collected from the same crystal under mostly the same settings except for the distance. The first run has image root starting "nh30_4_01_" and a detector distance of 290 mm and consists of 321 images. The second run has image root starting "nh30_4b_01_" and a detector distance of 243 mm and consists of 1810 images. Both runs were scaled together with XSCALE using zero dose extrapolation giving the correct starting dose for the second run. The folder "processing_templates.zip" contains XDS.INP files for both runs and the XSCALE.INP file.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.23953
Sweep:
SWEEP2
Files:
/programs/datagrid/987/nh30_4b_01_#####.cbf
Images:
1 - 1810
Beam:
(216.89, 211.9) -> (216.89, 212.2)
Distance:
243.4 -> 244.72
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.53 | 4.15 | 1.53 |
| Low resolution limit | 28.92 | 28.93 | 1.56 |
| Completeness | 94.1 | 100.0 | 57.9 |
| Multiplicity | 6.3 | 7.0 | 2.4 |
| I/sigma | 17.5 | 59.2 | 0.5 |
| Rmerge | 0.041 | 0.024 | 2.037 |
| CC half | 1.0 | 1.0 | 0.342 |
| Anomalous completeness | 90.4 | 99.7 | 42.8 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 56.96 | 65.35 | 124.33 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.23953
Sweep:
SWEEP2
Files:
/programs/datagrid/987/nh30_4b_01_#####.cbf
Images:
1 - 1810
Beam:
(216.89, 211.9) -> (216.89, 212.22)
Distance:
243.4 -> 244.62
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.53 | 4.15 | 1.53 |
| Low resolution limit | 41.44 | 41.46 | 1.56 |
| Completeness | 94.1 | 100.0 | 57.8 |
| Multiplicity | 6.3 | 7.0 | 2.4 |
| I/sigma | 17.5 | 59.2 | 0.5 |
| Rmerge | 0.041 | 0.024 | 2.027 |
| CC half | 1.0 | 1.0 | 0.344 |
| Anomalous completeness | 90.4 | 99.5 | 42.8 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 56.96 | 65.35 | 124.33 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.23953
Sweep:
SWEEP2
Files:
/programs/datagrid/987/nh30_4b_01_#####.cbf
Images:
1 - 1810
Beam:
(216.89, 211.9) -> (216.89, 212.22)
Distance:
243.4 -> 244.16
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.48 | 4.02 | 1.48 |
| Low resolution limit | 31.57 | 31.58 | 1.51 |
| Completeness | 89.1 | 100.0 | 34.4 |
| Multiplicity | 6.1 | 7.2 | 2.2 |
| I/sigma | 6.0 | 36.9 | 0.0 |
| Rmerge | 0.069 | 0.042 | 2.072 |
| CC half | 0.999 | 0.999 | 0.27 |
| Anomalous completeness | 84.6 | 100.0 | 22.9 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 56.869 | 65.287 | 124.225 | 90.0 | 90.0 | 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.
