X-Ray Diffraction data from Thermoanaerobacter tengcongensis SONO (H-NOX) in complex with dioxygen, source of 1XBN structure

Data DOI: 10.15785/SBGRID/91 | ID: 91

Publication DOI: 10.1126/science.1103596

1XBN Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Raman Laboratory, University of Maryland

Release Date: May 14, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/91

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/91 .' (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/91 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/91 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/91 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 91 ; shasum -c files.sha'

Storage requirements: 961M

Biological Sample:

Thermoanaerobacter tengcongensis SONO (H-NOX) in complex with dioxygen

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

BL 8.3.1, Advanced Light Source, Berkeley, CA

Data Creation Date:

Feb. 27, 2004

Related Datasets:

96, 97


Cite this Dataset

Nioche, P; Raman, CS. 2015. "X-Ray Diffraction data for: Thermoanaerobacter tengcongensis SONO (H-NOX) in complex with dioxygen. PDB Code 1XBN", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/91.

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Dataset Description

Native data set collected at 11110.97 eV.

Project Members

Name Additional Roles Affiliation While Working on the Project
C S RamanData Collector, DepositorUniversity of Texas Medical School, Houston
Pierre NiocheData CollectorUniversity of Texas Medical School, Houston
C S RamanPIUniversity of Maryland

Reprocessing Instructions

This data was collected from a crystal that diffracts X-rays to a Bragg spacing of 2.5 A. Complete data set can be obtained by merging reflections from both low-res (mpd2lo) and high-res (mpd2hi) images. An independent archive of these images is maintained by Dr. James Holton (jmholton@lbl.gov) in the context of non-proprietary data collected at ALS beamline 8.3.1. If necessary, this dataset can be obtained directly from Dr. Holton.

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.11587

Sweep:

SWEEP1

Files:

/programs/datagrid/91/mpd2hi_1_###.img

Images:

12 - 26

Beam:

(115.05, 102.3) -> (115.05, 102.26)

Distance:

150.0 -> 149.4

Spacegroup:

P 42 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.83 7.67 2.83
Low resolution limit 40.19 40.19 2.88
Completeness 93.2 73.3 94.6
Multiplicity 3.5 3.1 3.6
I/sigma 20.1 30.6 5.7
Rmerge 0.036 0.042 0.186
CC half 0.993 0.986 0.959
Anomalous completeness 84.3 67.0 84.2
Anomalous multiplicity 2.0 2.0 2.0
Cell 120.56 120.56 120.56 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 1.11587

Sweep:

SWEEP1

Files:

/programs/datagrid/91/mpd2hi_1_###.img

Images:

12 - 26

Beam:

(115.05, 102.3) -> (115.05, 102.27)

Distance:

150.0 -> 149.46

Spacegroup:

P 42 3 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.26 6.13 2.26
Low resolution limit 40.19 40.2 2.3
Completeness 93.4 79.0 93.9
Multiplicity 3.6 3.3 3.5
I/sigma 11.3 30.8 0.8
Rmerge 0.044 0.039 1.563
CC half 0.994 0.988 0.333
Anomalous completeness 82.9 75.2 77.0
Anomalous multiplicity 2.1 2.1 2.1
Cell 120.58 120.58 120.58 90.0 90.0 90.0

Version:

version unreported

Reprocessing failed.


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.