Data DOI: 10.15785/SBGRID/731 | ID: 731
6ORR Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Gaudet Laboratory, Harvard University
Release Date: 6 Dec 2019
1. If this dataset is locally available, it should be accessable at /programs/datagrid/731
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/731 .' (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/731 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/731 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/731 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 731 ; shasum -c files.sha'
Storage requirements: 6.4G
Biological Sample:
NS1-inhibitor-bound human nicotinamide N-methyl transferase
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
24-ID-C, NE-CAT, APS, Chicago, IL
Data Creation Date:
10 Nov 2018
Related Datasets:
None
May, EJ; Policarpo, R; Gaudet, R. 2019. "X-Ray Diffraction data for: NS1-inhibitor-bound human nicotinamide N-methyl transferase. PDB Code 6ORR", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/731.
native data set; best data set collected; contained multiple lattices
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Elizabeth J May | Data Collector, Depositor | Crystallographer |
| Rachelle Gaudet | Data Collector | Principal Investigator |
| Rocco Policarpo | Data Collector | Synthetic Chemist |
| Rachelle Gaudet | PI | Harvard University |
This data set contained multiple lattices; we processed using the multi-lattice search in DIALS and used the strongest lattice detected to index to 2.5A resolution.
Version:
version unreported
Reprocessing failed.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9791
Sweep:
SWEEP1
Files:
/programs/datagrid/731/RG_006_8_repeat_1_####.cbf
Images:
1 - 1100
Beam:
(217.02, 225.35) -> (217.02, 225.38)
Distance:
350.0 -> 351.32
Spacegroup:
P 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.99 | 8.11 | 2.99 |
| Low resolution limit | 54.28 | 54.29 | 3.04 |
| Completeness | 92.7 | 91.0 | 92.7 |
| Multiplicity | 2.2 | 2.3 | 2.2 |
| I/sigma | 1.5 | 2.2 | 0.8 |
| Rmerge | 0.55 | 0.345 | 0.919 |
| CC half | 0.718 | 0.811 | 0.33 |
| Anomalous completeness | 83.5 | 84.6 | 81.7 |
| Anomalous multiplicity | 1.2 | 1.2 | 1.2 |
| Cell | 46.59 | 62.9 | 110.84 | 92.88 | 99.4 | 111.63 |
|---|
Version:
version unreported
Reprocessing failed.
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.
