X-Ray Diffraction data from Complex DesKC:DesR-REC (B. subtilis) - phosphotransferase state, high Mg2+ & BeF3-, source of 5IUL structure

Data DOI: 10.15785/SBGRID/408 | ID: 408

Publication DOI: 10.7554/eLife.21422

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

Buschiazzo Laboratory, Institut Pasteur de Montevideo

Release Date: Dec. 13, 2016

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/408

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/408 .' (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/408 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/408 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/408 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 408 ; shasum -c files.sha'

Storage requirements: 2.2G

Biological Sample:

Complex DesKC:DesR-REC (B. subtilis) - phosphotransferase state, high Mg2+ & BeF3-

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

Institut Pasteur de Montevideo Protein Crystallography Facility - RIGAKU MICROMAX-007 HF

Data Creation Date:

Oct. 31, 2015

Related Datasets:

None


Cite this Dataset

Trajtenberg, F; Buschiazzo, A. 2016. "X-Ray Diffraction data for: Complex DesKC:DesR-REC (B. subtilis) - phosphotransferase state, high Mg2+ & BeF3-. PDB Code 5IUL", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/408.

Download Citation

Dataset Description

native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Alejandro BuschiazzoDepositorInstitut Pasteur de Montevideo / Institut Pasteur
Felipe TrajtenbergData CollectorInstitut Pasteur de Montevideo
Alejandro BuschiazzoPIInstitut Pasteur de Montevideo

Reprocessing Instructions

All images were eventually integrated, but indexing was achieved selecting frames 10-40 and 200-240 and using the 1000 strongest reflections.

Reprocessing Data

About Reprocessing

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/408/20151031_KR_108_D4_x1_bef_###.mar2300

Images:

1 - 593

Beam:

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

Distance:

300.0 -> 299.83

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.08 8.35 3.08
Low resolution limit 46.88 46.89 3.13
Completeness 97.1 98.6 96.2
Multiplicity 3.8 3.7 3.8
I/sigma 7.5 14.0 1.7
Rmerge 0.104 0.076 0.714
CC half 0.992 0.988 0.747
Anomalous completeness 80.1 91.6 74.2
Anomalous multiplicity 2.1 2.1 2.1
Cell 88.086 116.262 91.773 90.0 117.123 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/408/20151031_KR_108_D4_x1_bef_###.mar2300

Images:

1 - 593

Beam:

(172.5, 172.5) -> (172.5, 172.61)

Distance:

300.0 -> 300.13

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.01 8.15 3.01
Low resolution limit 38.81 38.82 3.06
Completeness 92.5 88.6 37.8
Multiplicity 3.8 3.4 3.0
I/sigma 9.9 22.7 -0.2
Rmerge 0.077 0.04 -3.723
CC half 0.997 0.996 0.389
Anomalous completeness 72.4 70.0 22.5
Anomalous multiplicity 2.1 2.1 2.1
Cell 88.14 116.44 91.86 90.0 117.12 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/408/20151031_KR_108_D4_x1_bef_###.mar2300

Images:

1 - 593

Beam:

(172.5, 172.5) -> (172.5, 172.57)

Distance:

300.0 -> 306.71

Spacegroup:

C 2 2 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 4.61 12.44 4.61
Low resolution limit 46.68 46.68 4.69
Completeness 99.5 100.0 98.2
Multiplicity 6.6 4.7 7.1
I/sigma 1.6 2.6 1.1
Rmerge 0.505 0.355 0.906
CC half 0.806 0.693 0.374
Anomalous completeness 98.7 93.7 99.5
Anomalous multiplicity 3.6 3.6 3.6
Cell 90.35 158.36 115.59 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.54179

Sweep:

SWEEP1

Files:

/programs/datagrid/408/20151031_KR_108_D4_x1_bef_###.mar2300

Images:

1 - 593

Beam:

(172.5, 172.5) -> (172.5, 172.59)

Distance:

300.0 -> 301.21

Spacegroup:

P 1 21 1

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 3.17 8.6 3.17
Low resolution limit 80.21 80.24 3.22
Completeness 98.1 99.2 93.3
Multiplicity 3.8 3.7 3.8
I/sigma 3.2 6.9 1.0
Rmerge 0.16 0.084 0.861
CC half 0.988 0.99 0.731
Anomalous completeness 80.5 91.9 72.1
Anomalous multiplicity 2.1 2.1 2.1
Cell 94.051 116.858 153.603 89.795 90.0 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.