X-Ray Diffraction data from Bacillus thermoproteolyticus thermolysin, source of 6fj2 structure

Data DOI: 10.15785/SBGRID/542 | ID: 542

6fj2 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

McCarthy Laboratory, EMBL - Grenoble

Release Date: Jan. 23, 2018

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/542

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/542 .' (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/542 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/542 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/542 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 542 ; shasum -c files.sha'

Storage requirements: 6.1G

Biological Sample:

Bacillus thermoproteolyticus thermolysin

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

ID30B at the ESRF

Data Creation Date:

April 5, 2017

Related Datasets:

None


Cite this Dataset

McCarthy, AA. 2018. "X-Ray Diffraction data for: Bacillus thermoproteolyticus thermolysin. PDB Code 6fj2", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/542.

Download Citation

Dataset Description

Anomalous Thermolysin data collected at the Zn peak.

Project Members

Name Additional Roles Affiliation While Working on the Project
Andrew A McCarthyData Collector, DepositorEMBL-Grenoble
Andrew McCarthyPIEMBL - Grenoble

Reprocessing Instructions

Anomalous dataset

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.28202

Sweep:

SWEEP1

Files:

/programs/datagrid/542/Thermolysin_pk_w1_2_####.cbf

Images:

1 - 1040

Beam:

(217.26, 209.0) -> (217.26, 209.19)

Distance:

171.46 -> 169.9

Spacegroup:

P 61 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.28 3.48 1.28
Low resolution limit 68.11 68.21 1.3
Completeness 89.2 99.5 23.3
Multiplicity 4.3 4.9 1.2
I/sigma 11.5 23.4 1.0
Rmerge 0.074 0.083 0.309
CC half 0.991 0.982 0.618
Anomalous completeness 77.5 96.7 3.8
Anomalous multiplicity 2.4 2.4 2.4
Cell 92.72 92.72 128.622 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.28202

Sweep:

SWEEP1

Files:

/programs/datagrid/542/Thermolysin_pk_w1_2_####.cbf

Images:

1 - 1040

Beam:

(217.26, 209.0) -> (217.26, 209.03)

Distance:

171.46 -> 169.76

Spacegroup:

P 61 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.27 3.45 1.27
Low resolution limit 37.82 37.84 1.29
Completeness 89.4 99.2 19.0
Multiplicity 4.4 5.0 1.2
I/sigma 12.6 21.7 1.9
Rmerge 0.068 0.072 0.259
CC half 0.993 0.988 0.805
Anomalous completeness 75.8 95.1 2.7
Anomalous multiplicity 2.5 2.5 2.5
Cell 92.72 92.72 128.62 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.28202

Sweep:

SWEEP1

Files:

/programs/datagrid/542/Thermolysin_pk_w1_2_####.cbf

Images:

1 - 1040

Beam:

(217.26, 209.0) -> (217.26, 209.03)

Distance:

171.46 -> 169.79

Spacegroup:

P 61 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.27 3.45 1.27
Low resolution limit 46.36 46.39 1.29
Completeness 89.4 99.2 19.0
Multiplicity 4.4 5.0 1.2
I/sigma 12.6 21.7 2.0
Rmerge 0.068 0.072 0.258
CC half 0.993 0.987 0.804
Anomalous completeness 75.7 95.2 2.7
Anomalous multiplicity 2.5 2.5 2.5
Cell 92.72 92.72 128.62 90.0 90.0 120.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.28202

Sweep:

SWEEP1

Files:

/programs/datagrid/542/Thermolysin_pk_w1_2_####.cbf

Images:

1 - 1040

Beam:

(217.26, 209.0) -> (217.26, 209.03)

Distance:

171.46 -> 169.81

Spacegroup:

P 61 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.27 3.45 1.27
Low resolution limit 68.11 68.21 1.29
Completeness 88.9 99.7 15.4
Multiplicity 4.5 5.2 1.1
I/sigma 12.3 23.9 1.4
Rmerge 0.071 0.081 0.16
CC half 0.988 0.977 0.831
Anomalous completeness 78.3 95.7 1.8
Anomalous multiplicity 2.5 2.5 2.5
Cell 92.716 92.716 128.62 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.