X-Ray Diffraction data from RT52A (recombinant HIV reverse transcriptase) from E. coli, source of 5C25 structure

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: Sept. 8, 2015

Data Access Instructions

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:

April 5, 2015

Related Datasets:

None


Cite this Dataset

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.

Download Citation

Dataset Description

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

Project Members

Name Additional Roles Affiliation While Working on the Project
Albert H ChanData Collector, DepositorYale University School of Medicine
Karen AndersonPIYale University School of Medicine

Reprocessing Instructions

Use XDS for best results. Beam center should be ORGX=1543.85 ORGY=1475.32 (pixels).

Reprocessing Data

About Reprocessing

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, 158.44)

Distance:

344.3 -> 343.68

Spacegroup:

P 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 4.54 12.3 4.54
Low resolution limit 66.33 66.34 4.62
Completeness 94.6 94.7 94.5
Multiplicity 1.8 1.9 1.8
I/sigma 4.2 5.4 3.5
Rmerge 0.141 0.074 0.208
CC half 0.984 0.997 0.975
Anomalous completeness 70.8 85.6 70.2
Anomalous multiplicity 1.0 1.0 1.0
Cell 73.002 88.852 109.195 80.175 89.934 65.804

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 -> 342.19

Spacegroup:

C 1 2 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.49 6.76 2.49
Low resolution limit 66.1 66.12 2.53
Completeness 98.7 98.2 99.4
Multiplicity 3.6 3.5 3.7
I/sigma 9.8 28.8 1.0
Rmerge 0.131 0.034 1.101
CC half 0.988 0.997 0.379
Anomalous completeness 91.0 92.0 94.6
Anomalous multiplicity 1.9 1.9 1.9
Cell 161.83 72.67 109.03 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 -> 342.11

Spacegroup:

C 1 2 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.47 6.7 2.47
Low resolution limit 58.3 58.31 2.51
Completeness 98.8 98.2 99.5
Multiplicity 3.6 3.5 3.7
I/sigma 9.7 28.7 1.0
Rmerge 0.135 0.034 1.142
CC half 0.988 0.997 0.366
Anomalous completeness 91.5 91.9 94.3
Anomalous multiplicity 1.9 1.9 1.9
Cell 161.85 72.68 109.05 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 -> 341.86

Spacegroup:

C 1 2 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.16 8.56 3.16
Low resolution limit 58.23 58.24 3.21
Completeness 75.8 23.5 96.6
Multiplicity 3.1 1.1 3.1
I/sigma 8.7 9.5 5.6
Rmerge 0.27 0.071 0.666
CC half 0.695 0.966 0.206
Anomalous completeness 63.7 2.5 86.3
Anomalous multiplicity 1.7 1.7 1.7
Cell 161.643 72.602 108.877 90.0 100.642 90.0

License and Terms of use

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.