Data DOI: 10.15785/SBGRID/168 | ID: 168
Publication DOI: 10.1016/j.bmcl.2015.06.074
5C25 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Anderson Laboratory, Yale University School of Medicine
Release Date: 8 Sep 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/168
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/168 .' (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/168 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/168 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/168 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 168 ; shasum -c files.sha'
Storage requirements: 3.2G
Biological Sample:
RT52A (recombinant HIV reverse transcriptase) from E. coli
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
24-ID-E, NE-CAT, APS, Chicago, IL
Data Creation Date:
5 Apr 2015
Related Datasets:
None
Chan, AH; Anderson, K. 2015. "X-Ray Diffraction data for: RT52A (recombinant HIV reverse transcriptase) from E. coli. PDB Code 5C25", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/168.
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor. 180 x 1 degree images collected for processing. Native data set collected on 24-ID-E at APS
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Albert H Chan | Data Collector, Depositor | Yale University School of Medicine |
| Karen Anderson | PI | Yale University School of Medicine |
Use XDS for best results. Beam center should be ORGX=1543.85 ORGY=1475.32 (pixels).
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97915
Sweep:
SWEEP1
Files:
/programs/datagrid/168/RT6393_1_###.img
Images:
1 - 180
Beam:
(151.4, 158.39) -> (151.4, 158.45)
Distance:
344.3 -> 342.24
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.44 | 6.62 | 2.44 |
| Low resolution limit | 58.3 | 58.31 | 2.48 |
| Completeness | 99.6 | 98.0 | 99.9 |
| Multiplicity | 3.6 | 3.5 | 3.7 |
| I/sigma | 9.5 | 27.6 | 1.0 |
| Rmerge | 0.169 | 0.035 | 1.385 |
| CC half | 0.984 | 0.997 | 0.303 |
| Anomalous completeness | 94.0 | 90.5 | 94.8 |
| Anomalous multiplicity | 1.9 | 1.9 | 1.9 |
| Cell | 161.84 | 72.68 | 109.04 | 90.0 | 100.64 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97915
Sweep:
SWEEP1
Files:
/programs/datagrid/168/RT6393_1_###.img
Images:
1 - 180
Beam:
(151.4, 158.39) -> (151.4, 158.45)
Distance:
344.3 -> 342.07
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.45 | 6.65 | 2.45 |
| Low resolution limit | 66.1 | 66.12 | 2.49 |
| Completeness | 99.6 | 97.9 | 99.9 |
| Multiplicity | 3.6 | 3.5 | 3.7 |
| I/sigma | 9.7 | 28.0 | 1.0 |
| Rmerge | 0.166 | 0.035 | 1.305 |
| CC half | 0.986 | 0.997 | 0.34 |
| Anomalous completeness | 94.0 | 90.8 | 94.4 |
| Anomalous multiplicity | 1.9 | 1.9 | 1.9 |
| Cell | 161.83 | 72.67 | 109.04 | 90.0 | 100.64 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97915
Sweep:
SWEEP1
Files:
/programs/datagrid/168/RT6393_1_###.img
Images:
1 - 180
Beam:
(151.4, 158.39) -> (151.4, 158.42)
Distance:
344.3 -> 342.57
Spacegroup:
P 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 3.57 | 9.7 | 3.57 |
| Low resolution limit | 106.93 | 106.98 | 3.63 |
| Completeness | 99.1 | 99.6 | 96.9 |
| Multiplicity | 1.9 | 2.0 | 2.0 |
| I/sigma | 62.5 | 241.4 | 21.1 |
| Rmerge | 0.562 | 0.19 | 0.859 |
| CC half | 0.117 | 0.916 | 0.335 |
| Anomalous completeness | 83.9 | 95.6 | 80.9 |
| Anomalous multiplicity | 1.1 | 1.1 | 1.1 |
| Cell | 72.566 | 88.517 | 108.817 | 80.233 | 89.947 | 65.823 |
|---|
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.
