X-Ray Diffraction data from Inorganic pyrophosphatase crystallised as a contaminant, source of 5H4F structure

Data DOI: 10.15785/SBGRID/393 | ID: 393

5H4F Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Murthy Laboratory, Indian Institute of Science

Release Date: Nov. 22, 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/393

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/393 .' (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/393 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/393 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/393 .' (Shanghai Institutes for Biological Sciences, China)

3. After the transfer is completed, please issue the following command to verify data integrity:

'cd 393 ; shasum -c files.sha'

Storage requirements: 618M

Biological Sample:

Inorganic pyrophosphatase crystallised as a contaminant

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

Rotating Anode: RIGAKU ULTRAX 18

Data Creation Date:

July 1, 2016

Related Datasets:

None


Cite this Dataset

Hatti, K; Choudhary, S; K, S; Murthy, M; Murthy, M. 2016. "X-Ray Diffraction data for: Inorganic pyrophosphatase crystallised as a contaminant. PDB Code 5H4F", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/393.

Download Citation

Dataset Description

Native dataset of inorganic pyrophosphatase crystallised as a contaminant

Project Members

Name Additional Roles Affiliation While Working on the Project
Kaushik HattiDepositorMolecular Biophysics Unit, IISc
Santosh ChoudharyData CollectorCDC, IISc
Sekar KCDS, IISc
MRN MurthyMolecular Biophysics Unit, IISc
M.R.N. MurthyPIIndian Institute of Science

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/393/RecR_PI_46_###.mar2300

Images:

1 - 180

Beam:

(172.5, 172.5) -> (172.5, 172.46)

Distance:

170.0 -> 170.37

Spacegroup:

H 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.01 5.45 2.01
Low resolution limit 29.53 29.54 2.04
Completeness 99.8 100.0 95.7
Multiplicity 10.7 10.4 9.2
I/sigma 10.2 24.3 2.0
Rmerge 0.149 0.063 1.361
CC half 0.998 0.999 0.751
Anomalous completeness 99.6 100.0 91.7
Anomalous multiplicity 5.6 5.6 5.6
Cell 108.09 108.09 155.613 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/393/RecR_PI_46_###.mar2300

Images:

1 - 180

Beam:

(172.5, 172.5) -> (172.5, 172.68)

Distance:

170.0 -> 170.46

Spacegroup:

H 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.01 5.44 2.01
Low resolution limit 27.02 27.03 2.04
Completeness 96.7 99.7 55.5
Multiplicity 10.8 10.2 9.2
I/sigma 12.9 33.4 -0.3
Rmerge 0.123 0.049 -8.447
CC half 0.999 0.999 0.298
Anomalous completeness 96.2 99.8 48.2
Anomalous multiplicity 5.7 5.7 5.7
Cell 108.1 108.1 155.59 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/393/RecR_PI_46_###.mar2300

Images:

1 - 180

Beam:

(172.5, 172.5) -> (172.5, 172.68)

Distance:

170.0 -> 170.33

Spacegroup:

H 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.05 5.55 2.05
Low resolution limit 27.02 27.03 2.09
Completeness 98.5 99.7 74.8
Multiplicity 10.9 10.1 10.7
I/sigma 13.4 33.7 2.0
Rmerge 0.119 0.048 1.222
CC half 0.999 0.999 0.825
Anomalous completeness 98.4 99.7 74.0
Anomalous multiplicity 5.7 5.7 5.7
Cell 108.1 108.1 155.59 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/393/RecR_PI_46_###.mar2300

Images:

1 - 180

Beam:

(172.5, 172.5) -> (172.5, 172.69)

Distance:

170.0 -> 170.1

Spacegroup:

H 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.0 5.44 2.0
Low resolution limit 44.81 44.83 2.04
Completeness 99.8 100.0 95.2
Multiplicity 10.7 10.5 7.7
I/sigma 11.4 25.5 3.5
Rmerge 0.125 0.058 0.685
CC half 0.998 0.999 0.858
Anomalous completeness 99.5 99.9 89.8
Anomalous multiplicity 5.6 5.6 5.6
Cell 108.078 108.078 155.521 90.0 90.0 120.0

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.