Data DOI: 10.15785/SBGRID/96 | ID: 96
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/96
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/96 .' (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/96 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/96 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/96 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 96 ; shasum -c files.sha'
Storage requirements: 2.2G
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/96.
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: Sono2: mpd1_1_E1_### to mpd1_1_E3_###
| 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) in the context 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 - 1.74029
Sweep:
SWEEP9
Files:
/programs/datagrid/96/mpd1_1_E3_###.img
Images:
182 - 225
Beam:
(115.02, 102.58) -> (115.02, 102.28)
Distance:
150.0 -> 149.76
Spacegroup:
P 42 3 2
For AUTOMATIC/DEFAULT/WAVE3:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.9 | 7.86 | 2.9 |
| Low resolution limit | 40.17 | 40.17 | 2.95 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 17.0 | 14.4 | 11.8 |
| I/sigma | 19.0 | 48.1 | 1.0 |
| Rmerge | 0.106 | 0.052 | 2.5 |
| CC half | 0.999 | 0.999 | 0.306 |
| Anomalous completeness | 99.9 | 100.0 | 99.7 |
| Anomalous multiplicity | 9.6 | 9.6 | 9.6 |
| Cell | 120.51 | 120.51 | 120.51 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
WAVE3 - 1.74029
Sweep:
SWEEP9
Files:
/programs/datagrid/96/mpd1_1_E3_###.img
Images:
182 - 225
Beam:
(115.02, 102.58) -> (115.02, 102.28)
Distance:
150.0 -> 149.63
Spacegroup:
P 42 3 2
For AUTOMATIC/DEFAULT/WAVE3:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.89 | 7.83 | 2.89 |
| Low resolution limit | 40.17 | 40.17 | 2.94 |
| Completeness | 100.0 | 100.0 | 100.0 |
| Multiplicity | 16.9 | 14.4 | 10.5 |
| I/sigma | 18.8 | 48.0 | 0.8 |
| Rmerge | 0.106 | 0.052 | 2.807 |
| CC half | 0.999 | 0.999 | 0.329 |
| Anomalous completeness | 99.9 | 100.0 | 99.7 |
| Anomalous multiplicity | 9.5 | 9.5 | 9.5 |
| Cell | 120.51 | 120.51 | 120.51 | 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.
