Data DOI: 10.15785/SBGRID/19 | ID: 19
Publication DOI: 10.1111/cbdd.12266
4LSL Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Anderson Laboratory, Yale University School of Medicine
Release Date: 5 May 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/19
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/19 .' (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/19 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/19 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/19 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 19 ; 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:
Protein
Collection Facility:
NSLS-I
Data Creation Date:
21 Feb 2013
Related Datasets:
None
Frey, KMary; Anderson, K. 2015. "X-Ray Diffraction data for: RT52A (recombinant HIV reverse transcriptase) from E. coli. PDB Code 4LSL", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/19.
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor. 180 x 1 degree images collected for processing. Native data set collected on X29A at NSLS-I.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Kathleen Mary Frey | Data Collector, Depositor | Yale University (School of Medicine) |
| Karen Anderson | PI | Yale University School of Medicine |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.075
Sweep:
SWEEP2
Files:
/programs/datagrid/19/RT476data_3_1_###.img
Images:
97 - 180
Beam:
(158.1, 156.5) -> (158.1, 157.05)
Distance:
356.06 -> 357.1
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.21 | 6.0 | 2.21 |
| Low resolution limit | 54.33 | 54.34 | 2.25 |
| Completeness | 84.3 | 85.2 | 36.6 |
| Multiplicity | 3.2 | 3.3 | 1.5 |
| I/sigma | 14.9 | 42.1 | 0.5 |
| Rmerge | 0.032 | 0.02 | 0.0 |
| CC half | 0.999 | 0.999 | 0.256 |
| Anomalous completeness | 73.5 | 77.4 | 17.8 |
| Anomalous multiplicity | 1.7 | 1.7 | 1.7 |
| Cell | 224.98 | 69.36 | 104.34 | 90.0 | 106.37 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.075
Sweep:
SWEEP2
Files:
/programs/datagrid/19/RT476data_3_1_###.img
Images:
97 - 180
Beam:
(158.1, 156.5) -> (158.1, 157.05)
Distance:
356.06 -> 357.42
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.21 | 6.0 | 2.21 |
| Low resolution limit | 54.33 | 54.34 | 2.25 |
| Completeness | 84.4 | 85.2 | 36.6 |
| Multiplicity | 3.2 | 3.3 | 1.5 |
| I/sigma | 14.9 | 42.0 | 0.5 |
| Rmerge | 0.032 | 0.02 | 0.0 |
| CC half | 0.999 | 0.998 | 0.256 |
| Anomalous completeness | 73.5 | 77.4 | 17.8 |
| Anomalous multiplicity | 1.7 | 1.7 | 1.7 |
| Cell | 224.98 | 69.36 | 104.34 | 90.0 | 106.37 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.075
Sweep:
SWEEP2
Files:
/programs/datagrid/19/RT476data_3_1_###.img
Images:
97 - 180
Beam:
(158.1, 156.5) -> (158.1, 157.04)
Distance:
356.06 -> 356.47
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.09 | 5.67 | 2.09 |
| Low resolution limit | 57.42 | 57.44 | 2.13 |
| Completeness | 81.1 | 100.0 | 25.6 |
| Multiplicity | 3.3 | 3.6 | 2.0 |
| I/sigma | 18.1 | 63.1 | 0.3 |
| Rmerge | 0.057 | 0.063 | 1.829 |
| CC half | 0.988 | 0.966 | 0.184 |
| Anomalous completeness | 74.6 | 99.5 | 18.3 |
| Anomalous multiplicity | 1.7 | 1.7 | 1.7 |
| Cell | 224.684 | 69.347 | 104.194 | 90.0 | 106.448 | 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.
