Data DOI: 10.15785/SBGRID/985 | ID: 985
Publication DOI: 10.3390/biom10081130
6SMT 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/985
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/985 .' (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/985 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/985 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/985 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 985 ; shasum -c files.sha'
Storage requirements: 21G
Biological Sample:
Imine reductase from Mycobacterium smegmatis
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:
18 Sep 2018
Related Datasets:
None
Gilzer, D; Moritzer, A; Niemann, HH. 2023. "X-Ray Diffraction data for: Imine reductase from Mycobacterium smegmatis. PDB Code 6SMT", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/985.
native data
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Hartmut H Niemann | Depositor | Bielefeld University, Department of Chemistry |
| Dominic Gilzer | Data Collector | Bielefeld University, Department of Chemistry |
| Ann-Christin Moritzer | Data Collector | Bielefeld University, Department of Chemistry |
| Hartmut Niemann | PI | Bielefeld University |
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97625
Sweep:
SWEEP1
Files:
/programs/datagrid/985/nh198_4_data_1_#####.cbf
Images:
1 - 3600
Beam:
(216.05, 210.25) -> (216.05, 209.61)
Distance:
294.67 -> 295.14
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.3 | 3.53 | 1.3 |
| Low resolution limit | 29.92 | 29.92 | 1.32 |
| Completeness | 78.5 | 99.7 | 20.6 |
| Multiplicity | 6.4 | 6.6 | 3.8 |
| I/sigma | 15.2 | 32.6 | 0.8 |
| Rmerge | 0.056 | 0.048 | 1.063 |
| CC half | 0.997 | 0.995 | 0.326 |
| Anomalous completeness | 77.1 | 98.3 | 18.6 |
| Anomalous multiplicity | 3.2 | 3.2 | 3.2 |
| Cell | 226.63 | 77.05 | 117.02 | 90.0 | 120.85 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97625
Sweep:
SWEEP1
Files:
/programs/datagrid/985/nh198_4_data_1_#####.cbf
Images:
1 - 3600
Beam:
(216.05, 210.25) -> (216.05, 209.6)
Distance:
294.67 -> 294.87
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.3 | 3.53 | 1.3 |
| Low resolution limit | 71.64 | 71.75 | 1.32 |
| Completeness | 78.5 | 99.7 | 20.6 |
| Multiplicity | 6.3 | 6.6 | 3.8 |
| I/sigma | 15.2 | 32.6 | 0.8 |
| Rmerge | 0.056 | 0.048 | 1.062 |
| CC half | 0.997 | 0.995 | 0.322 |
| Anomalous completeness | 77.1 | 98.3 | 18.6 |
| Anomalous multiplicity | 3.2 | 3.2 | 3.2 |
| Cell | 226.63 | 77.05 | 117.02 | 90.0 | 120.85 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97625
Sweep:
SWEEP1
Files:
/programs/datagrid/985/nh198_4_data_1_#####.cbf
Images:
1 - 3600
Beam:
(216.05, 210.25) -> (216.05, 209.6)
Distance:
294.67 -> 294.97
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.25 | 3.4 | 1.25 |
| Low resolution limit | 71.58 | 71.7 | 1.27 |
| Completeness | 71.3 | 99.8 | 4.7 |
| Multiplicity | 6.3 | 6.7 | 2.3 |
| I/sigma | 16.7 | 49.2 | 0.4 |
| Rmerge | 0.058 | 0.05 | 0.95 |
| CC half | 0.994 | 0.991 | 0.326 |
| Anomalous completeness | 69.9 | 99.5 | 2.4 |
| Anomalous multiplicity | 3.2 | 3.2 | 3.2 |
| Cell | 226.495 | 76.989 | 116.939 | 90.0 | 120.839 | 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.
