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: 19 May 2015
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:
26 Feb 2004
Related Datasets:
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.
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.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| C S Raman | Data Collector, Depositor | University of Texas Medical School, Houston |
| Pierre Nioche | Data Collector | University of Texas Medical School, Houston |
| C S Raman | PI | University of Maryland |
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.
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 -> 149.54
Spacegroup:
P 42 3 2
For AUTOMATIC/DEFAULT/WAVE3:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.77 | 7.52 | 2.77 |
| Low resolution limit | 120.09 | 120.2 | 2.82 |
| Completeness | 99.2 | 100.0 | 91.3 |
| Multiplicity | 14.5 | 12.8 | 9.9 |
| I/sigma | 16.9 | 43.8 | 0.8 |
| Rmerge | 0.098 | 0.048 | 2.907 |
| CC half | 0.999 | 0.998 | 0.314 |
| Anomalous completeness | 99.1 | 100.0 | 92.6 |
| Anomalous multiplicity | 8.1 | 8.1 | 8.1 |
| 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 -> 149.54
Spacegroup:
P 42 3 2
For AUTOMATIC/DEFAULT/WAVE3:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.77 | 7.52 | 2.77 |
| Low resolution limit | 120.09 | 120.2 | 2.82 |
| Completeness | 99.2 | 100.0 | 91.3 |
| Multiplicity | 14.5 | 12.8 | 9.9 |
| I/sigma | 16.9 | 43.7 | 0.8 |
| Rmerge | 0.099 | 0.049 | 2.914 |
| CC half | 0.999 | 0.999 | 0.314 |
| Anomalous completeness | 99.1 | 100.0 | 92.6 |
| Anomalous multiplicity | 8.2 | 8.2 | 8.2 |
| Cell | 120.09 | 120.09 | 120.09 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Reprocessing failed.
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.
