Data DOI: 10.15785/SBGRID/833 | ID: 833
7MDE Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Gaudet Laboratory, Harvard University
Release Date: 4 Oct 2022
1. If this dataset is locally available, it should be accessable at /programs/datagrid/833
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/833 .' (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/833 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/833 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/833 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 833 ; shasum -c files.sha'
Storage requirements: 2.7G
Biological Sample:
S95A ClbP bound to monoolein
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
Beamline 24-ID-C, NECAT, APS, Chicago, IL
Data Creation Date:
13 Jun 2018
Related Datasets:
None
Velilla, JA; Gaudet, R. 2022. "X-Ray Diffraction data for: S95A ClbP bound to monoolein. PDB Code 7MDE", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/833.
Data collected at the selenium edge of a single crystal of selenomethionine-substituted ClbP grown in a monoolein mesophase.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Jose A Velilla | Data Collector, Depositor | Graduate Student |
| Rachelle Gaudet | Principal Investigator | |
| Rachelle Gaudet | PI | Harvard University |
Data collected at APS beamline 24-ID-C in a Pilatus detector. Diffraction data from a single crystal were indexed in XDS (spacegroup P 42 21 2). The resulting .HKL file was scaled in Aimless, and the output .MTZ file was used for phasing in PHENIX with the periplasmic domain structure (PDB: 3O3V) as search model. The Rfree flags in the reflection file were generated randomly.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9792
Sweep:
SWEEP1
Files:
/programs/datagrid/833/RG003_04_01_1_####.cbf
Images:
1 - 450
Beam:
(216.6, 223.02) -> (216.6, 222.89)
Distance:
350.0 -> 352.79
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.66 | 7.22 | 2.66 |
| Low resolution limit | 61.31 | 61.33 | 2.71 |
| Completeness | 78.4 | 72.4 | 81.1 |
| Multiplicity | 4.3 | 4.3 | 4.3 |
| I/sigma | 5.6 | 22.8 | 0.5 |
| Rmerge | 0.195 | 0.038 | 1.715 |
| CC half | 0.986 | 0.997 | 0.311 |
| Anomalous completeness | 68.0 | 65.0 | 71.6 |
| Anomalous multiplicity | 2.4 | 2.4 | 2.4 |
| Cell | 136.98 | 137.33 | 183.93 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9792
Sweep:
SWEEP1
Files:
/programs/datagrid/833/RG003_04_01_1_####.cbf
Images:
1 - 450
Beam:
(216.6, 223.02) -> (216.6, 222.9)
Distance:
350.0 -> 351.41
Spacegroup:
C 2 2 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.67 | 7.25 | 2.67 |
| Low resolution limit | 96.99 | 97.06 | 2.72 |
| Completeness | 78.4 | 72.4 | 81.1 |
| Multiplicity | 4.3 | 4.3 | 4.4 |
| I/sigma | 5.7 | 22.6 | 0.5 |
| Rmerge | 0.192 | 0.038 | 1.768 |
| CC half | 0.992 | 0.999 | 0.367 |
| Anomalous completeness | 67.9 | 65.5 | 71.8 |
| Anomalous multiplicity | 2.4 | 2.4 | 2.4 |
| Cell | 137.0 | 137.34 | 183.94 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9792
Sweep:
SWEEP1
Files:
/programs/datagrid/833/RG003_04_01_1_####.cbf
Images:
1 - 450
Beam:
(216.6, 223.02) -> (216.6, 222.9)
Distance:
350.0 -> 351.92
Spacegroup:
P 42 21 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.24 | 6.08 | 2.24 |
| Low resolution limit | 97.19 | 97.28 | 2.28 |
| Completeness | 100.0 | 100.0 | 99.5 |
| Multiplicity | 6.5 | 6.0 | 6.7 |
| I/sigma | 4.8 | 26.3 | 0.3 |
| Rmerge | 0.279 | 0.057 | 3.064 |
| CC half | 0.993 | 0.998 | 0.339 |
| Anomalous completeness | 99.8 | 99.8 | 99.2 |
| Anomalous multiplicity | 3.5 | 3.5 | 3.5 |
| Cell | 97.19 | 97.19 | 184.142 | 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.
