Data DOI: 10.15785/SBGRID/542 | ID: 542
6fj2 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
McCarthy Laboratory, EMBL - Grenoble
Release Date: Jan. 23, 2018
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
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.
Anomalous Thermolysin data collected at the Zn peak.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Andrew A McCarthy | Data Collector, Depositor | EMBL-Grenoble |
| Andrew McCarthy | PI | EMBL - Grenoble |
Anomalous dataset
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: 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.
