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

Data DOI: 10.15785/SBGRID/97 | ID: 97

Publication DOI: 10.1126/science.1103596

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

Raman Laboratory, University of Maryland

Release Date: May 19, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/97

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/97 .' (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/97 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/97 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/97 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 97 ; shasum -c files.sha'

Storage requirements: 2.7G

Biological Sample:

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

Dataset Type:

X-Ray Diffraction

Subject Composition:

Protein

Collection Facility:

Beamline 8.3.1, Advanced Light Source, Berkeley, CA

Data Creation Date:

Feb. 26, 2004

Related Datasets:

91, 96


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/97.

Download Citation

Dataset Description

This is a three wavelength MAD data collected at the iron edge. E1 = 7134.03 eV; E2 = 7634 eV; E3 = 7124.35 eV. Bijvoet pairs were collected in real time using a 1 deg wedge (inverse beam), which is the standard protocol at ALS beamline 8.3.1. Data identifier: Sono: but1_1_E1_### to but1_1_E3_### The crystal used here yields a complete 2.88 A MAD data set.

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

An independent archive of these images is maintained by Dr. James Holton (jmholton@lbl.gov) as part of non-proprietary data collected at ALS beamline 8.3.1. If necessary, this MAD dataset can also 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:

WAVE3 - 1.74063

Sweep:

SWEEP10

Files:

/programs/datagrid/97/but1_1_E3_###.img

Images:

181 - 236

Beam:

(115.01, 102.33) -> (115.01, 102.27)

Distance:

150.0 -> 149.56

Spacegroup:

P 42 3 2

For AUTOMATIC/DEFAULT/WAVE3:

ALL LOW HIGH
High resolution limit 2.82 7.66 2.82
Low resolution limit 120.09 120.2 2.87
Completeness 99.6 100.0 93.0
Multiplicity 14.5 12.7 10.1
I/sigma 17.5 43.2 1.0
Rmerge 0.095 0.05 2.24
CC half 0.998 0.998 0.472
Anomalous completeness 99.4 100.0 94.5
Anomalous multiplicity 8.2 8.2 8.2
Cell 120.09 120.09 120.09 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

WAVE3 - 1.74063

Sweep:

SWEEP10

Files:

/programs/datagrid/97/but1_1_E3_###.img

Images:

181 - 236

Beam:

(115.01, 102.33) -> (115.01, 102.27)

Distance:

150.0 -> 149.55

Spacegroup:

P 42 3 2

For AUTOMATIC/DEFAULT/WAVE3:

ALL LOW HIGH
High resolution limit 2.84 7.71 2.84
Low resolution limit 120.09 120.2 2.89
Completeness 99.8 100.0 96.2
Multiplicity 14.7 12.6 10.1
I/sigma 17.8 43.5 1.1
Rmerge 0.094 0.05 2.03
CC half 0.998 0.999 0.529
Anomalous completeness 99.6 100.0 97.0
Anomalous multiplicity 8.3 8.3 8.3
Cell 120.09 120.09 120.09 90.0 90.0 90.0

Version:

version unreported

Reprocessing failed.

This dataset is part of the SBDB Pilot Reference Collection, and has processed intensities available from that collection.

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.