Data DOI: 10.15785/SBGRID/495 | ID: 495
Publication DOI: 10.1073/pnas.1707304114
5VYH Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
McLellan Laboratory, University of Texas at Austin
Release Date: Sept. 19, 2017
1. If this dataset is locally available, it should be accessable at /programs/datagrid/495
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/495 .' (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/495 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/495 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/495 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 495 ; shasum -c files.sha'
Storage requirements: 12G
Biological Sample:
MERS-CoV S1 NTD
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
BL14-1, SSRL, SLAC National Accelerator Laboratory
Data Creation Date:
Dec. 3, 2015
Related Datasets:
None
Wang, N; McLellan, JS. 2017. "X-Ray Diffraction data for: MERS-CoV S1 NTD. PDB Code 5VYH", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/495.
Native dataset
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Nianshuang Wang | Data Collector, Depositor | Geisel School of Medicine at Dartmouth |
| Jason S McLellan | Geisel School of Medicine at Dartmouth | |
| Jason McLellan | PI | University of Texas at Austin |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.18076
Sweep:
SWEEP1
Files:
/programs/datagrid/495/NTD_X3_12_#####.mccd
Images:
1 - 360
Beam:
(162.5, 162.5) -> (162.5, 162.29)
Distance:
250.0 -> 250.3
Spacegroup:
P 1 21 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.92 | 5.21 | 1.92 |
| Low resolution limit | 66.52 | 66.56 | 1.95 |
| Completeness | 92.5 | 98.8 | 59.2 |
| Multiplicity | 3.7 | 3.7 | 3.0 |
| I/sigma | 3.7 | 6.2 | 1.0 |
| Rmerge | 0.171 | 0.125 | 0.912 |
| CC half | 0.969 | 0.964 | 0.386 |
| Anomalous completeness | 91.1 | 99.4 | 55.2 |
| Anomalous multiplicity | 1.9 | 1.9 | 1.9 |
| Cell | 49.88 | 84.507 | 107.835 | 90.0 | 90.026 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.18076
Sweep:
SWEEP1
Files:
/programs/datagrid/495/NTD_X3_12_#####.mccd
Images:
1 - 360
Beam:
(162.5, 162.5) -> (162.5, 162.25)
Distance:
250.0 -> 240.73
Spacegroup:
P 1 21 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.17 | 5.89 | 2.17 |
| Low resolution limit | 43.75 | 43.75 | 2.21 |
| Completeness | 96.7 | 87.5 | 99.7 |
| Multiplicity | 3.6 | 3.3 | 3.6 |
| I/sigma | 3.0 | 4.9 | 1.1 |
| Rmerge | 0.192 | 0.094 | 0.907 |
| CC half | 0.973 | 0.984 | 0.685 |
| Anomalous completeness | 84.2 | 71.8 | 89.6 |
| Anomalous multiplicity | 2.0 | 2.0 | 2.0 |
| Cell | 137.05 | 49.88 | 280.155 | 90.0 | 102.855 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.18076
Sweep:
SWEEP1
Files:
/programs/datagrid/495/NTD_X3_12_#####.mccd
Images:
1 - 360
Beam:
(162.5, 162.5) -> (162.5, 162.15)
Distance:
250.0 -> 250.23
Spacegroup:
P 1 21 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.12 | 5.75 | 2.12 |
| Low resolution limit | 66.46 | 66.5 | 2.16 |
| Completeness | 96.6 | 86.9 | 99.6 |
| Multiplicity | 3.6 | 3.4 | 3.7 |
| I/sigma | 4.4 | 9.0 | 1.1 |
| Rmerge | 0.143 | 0.051 | 0.951 |
| CC half | 0.994 | 0.997 | 0.725 |
| Anomalous completeness | 84.7 | 76.6 | 87.0 |
| Anomalous multiplicity | 2.0 | 2.0 | 2.0 |
| Cell | 136.89 | 49.89 | 274.14 | 90.0 | 103.82 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.18076
Sweep:
SWEEP1
Files:
/programs/datagrid/495/NTD_X3_12_#####.mccd
Images:
1 - 360
Beam:
(162.5, 162.5) -> (162.5, 162.24)
Distance:
250.0 -> 250.56
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.86 | 5.04 | 1.86 |
| Low resolution limit | 45.5 | 45.51 | 1.89 |
| Completeness | 94.8 | 100.0 | 65.2 |
| Multiplicity | 6.5 | 6.7 | 2.9 |
| I/sigma | 5.1 | 8.6 | 0.8 |
| Rmerge | 0.186 | 0.145 | 1.209 |
| CC half | 0.982 | 0.977 | 0.481 |
| Anomalous completeness | 93.5 | 100.0 | 55.1 |
| Anomalous multiplicity | 3.4 | 3.4 | 3.4 |
| Cell | 49.929 | 84.608 | 107.928 | 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.
