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: May 5, 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:
Feb. 21, 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, 157.08)
Distance:
356.06 -> 357.83
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.32 | 6.3 | 2.32 |
| Low resolution limit | 107.9 | 108.02 | 2.36 |
| Completeness | 89.9 | 84.8 | 50.9 |
| Multiplicity | 3.2 | 3.2 | 1.5 |
| I/sigma | 11.9 | 27.0 | 1.0 |
| Rmerge | 0.045 | 0.028 | 0.962 |
| CC half | 0.998 | 0.998 | 0.643 |
| Anomalous completeness | 81.0 | 79.8 | 25.8 |
| Anomalous multiplicity | 1.7 | 1.7 | 1.7 |
| Cell | 224.915 | 69.394 | 104.359 | 90.0 | 106.364 | 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 -> 357.85
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.36 | 6.4 | 2.36 |
| Low resolution limit | 53.06 | 53.07 | 2.4 |
| Completeness | 91.4 | 82.6 | 59.8 |
| Multiplicity | 3.3 | 3.3 | 1.5 |
| I/sigma | 16.6 | 42.9 | 1.0 |
| Rmerge | 0.031 | 0.02 | 0.827 |
| CC half | 0.999 | 0.998 | 0.58 |
| Anomalous completeness | 82.3 | 74.8 | 32.7 |
| Anomalous multiplicity | 1.8 | 1.8 | 1.8 |
| Cell | 224.97 | 69.36 | 104.33 | 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 -> 357.52
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.37 | 6.43 | 2.37 |
| Low resolution limit | 53.96 | 53.98 | 2.41 |
| Completeness | 91.6 | 82.5 | 60.5 |
| Multiplicity | 3.3 | 3.3 | 1.5 |
| I/sigma | 16.8 | 42.9 | 1.0 |
| Rmerge | 0.031 | 0.02 | 0.81 |
| CC half | 0.999 | 0.998 | 0.603 |
| Anomalous completeness | 82.7 | 74.7 | 32.6 |
| Anomalous multiplicity | 1.8 | 1.8 | 1.8 |
| Cell | 224.97 | 69.36 | 104.33 | 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, 157.03)
Distance:
356.06 -> 356.47
Spacegroup:
C 1 2 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.33 | 6.32 | 2.33 |
| Low resolution limit | 57.43 | 57.45 | 2.37 |
| Completeness | 90.8 | 85.5 | 51.0 |
| Multiplicity | 3.3 | 3.3 | 1.5 |
| I/sigma | 12.2 | 27.9 | 1.0 |
| Rmerge | 0.037 | 0.022 | 1.191 |
| CC half | 0.999 | 0.999 | 0.74 |
| Anomalous completeness | 82.8 | 81.9 | 26.2 |
| Anomalous multiplicity | 1.8 | 1.8 | 1.8 |
| Cell | 224.659 | 69.37 | 104.199 | 90.0 | 106.471 | 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.
