Data DOI: 10.15785/SBGRID/984 | ID: 984
Publication DOI: 10.1107/S2059798322000432
7NMS Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Niemann Laboratory, Bielefeld University
Release Date: 17 Jan 2023
1. If this dataset is locally available, it should be accessable at /programs/datagrid/984
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/984 .' (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/984 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/984 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/984 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 984 ; shasum -c files.sha'
Storage requirements: 8.4G
Biological Sample:
InlB392_T332E (Listeria monocytogenes InlB (internalin B), residues 36-392; T332E mutation)
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
beamline BL14.2, BESSY II, Helmholtz-Zentrum Berlin fuer Materialien und Energie
Data Creation Date:
18 Jan 2018
Related Datasets:
None
Widmann, C; Niemann, HH. 2023. "X-Ray Diffraction data for: InlB392_T332E (Listeria monocytogenes InlB (internalin B), residues 36-392; T332E mutation). PDB Code 7NMS", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/984.
native data
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Hartmut H Niemann | Data Collector, Depositor | Bielefeld University, Department of Chemistry |
| Christiane Widmann | Data Collector | Bielefeld University, Department of Chemistry |
| Hartmut Niemann | PI | Bielefeld University |
XDS.INP file used for processing is provided as template.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9184
Sweep:
SWEEP1
Files:
/programs/datagrid/984/nh180_5_1_####.cbf
Images:
1 - 3600
Beam:
(144.48, 127.45) -> (144.48, 127.55)
Distance:
223.13 -> 220.46
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.64 | 4.43 | 1.64 |
| Low resolution limit | 18.58 | 18.58 | 1.67 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 13.2 | 12.1 | 12.6 |
| I/sigma | 16.9 | 66.0 | 0.6 |
| Rmerge | 0.075 | 0.028 | 3.686 |
| CC half | 1.0 | 1.0 | 0.359 |
| Anomalous completeness | 99.9 | 99.9 | 99.8 |
| Anomalous multiplicity | 6.9 | 6.9 | 6.9 |
| Cell | 43.41 | 88.73 | 102.02 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9184
Sweep:
SWEEP1
Files:
/programs/datagrid/984/nh180_5_1_####.cbf
Images:
1 - 3600
Beam:
(144.48, 127.45) -> (144.48, 127.54)
Distance:
223.13 -> 220.34
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.64 | 4.45 | 1.64 |
| Low resolution limit | 31.03 | 31.03 | 1.67 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 13.2 | 12.0 | 12.6 |
| I/sigma | 16.9 | 65.1 | 0.6 |
| Rmerge | 0.075 | 0.028 | 3.701 |
| CC half | 1.0 | 0.999 | 0.361 |
| Anomalous completeness | 99.9 | 99.9 | 99.7 |
| Anomalous multiplicity | 6.9 | 6.9 | 6.9 |
| Cell | 43.41 | 88.73 | 102.02 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9184
Sweep:
SWEEP1
Files:
/programs/datagrid/984/nh180_5_1_####.cbf
Images:
1 - 3600
Beam:
(144.48, 127.45) -> (144.48, 127.54)
Distance:
223.13 -> 220.4
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.58 | 4.29 | 1.58 |
| Low resolution limit | 31.76 | 31.76 | 1.61 |
| Completeness | 100.0 | 100.0 | 98.7 |
| Multiplicity | 12.9 | 11.9 | 9.8 |
| I/sigma | 11.5 | 65.8 | 0.2 |
| Rmerge | 0.087 | 0.037 | 3.436 |
| CC half | 0.999 | 0.999 | 0.297 |
| Anomalous completeness | 99.9 | 100.0 | 98.3 |
| Anomalous multiplicity | 6.8 | 6.8 | 6.8 |
| Cell | 43.409 | 88.716 | 102.029 | 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.
