Data DOI: 10.15785/SBGRID/751 | ID: 751
Publication DOI: 10.1021/BI801546N
3ELN Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Diederichs Laboratory, University of Konstanz
Release Date: 28 Jan 2020
1. If this dataset is locally available, it should be accessable at /programs/datagrid/751
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/751 .' (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/751 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/751 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/751 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 751 ; shasum -c files.sha'
Storage requirements: 1.8G
Biological Sample:
Cysteine Dioxygenase (CDO)
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
Beamline 5.0.1 at the Advanced Light Source
Data Creation Date:
9 Apr 2009
Related Datasets:
None
Karplus, P; Diederichs, K. 2020. "X-Ray Diffraction data for: Cysteine Dioxygenase (CDO). PDB Code 3ELN", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/751.
This is the EXP data set referred to in the paper "Linking Crystallographic Model and Data Quality" by P. Andrew Karplus and Kay Diederichs, Science 336, 1030 (2012). The raw data for 3ELN were never deposited. The data deposited here are nicely fit by 3ELN, but they are about 15 times weaker than the original 3ELN data.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| P. Andrew Karplus | Data Collector | Oregon State University |
| Kay Diederichs | Depositor, PI | University of Konstanz |
The 218 frames were processed with XDS. There is an offset of about 2 degrees after frame 180. It is advisable to specify DATA_RANGE=1 220 instead of 1 218, to make XDS choose 5 degree batches, such that the changeover between batches happens after frame 180. Then, the geometry refinement of XDS mostly takes care of the offset. Possibly better: process 1-180 and 181-218 separately, and merge in XSCALE.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.9774
Sweep:
SWEEP1
Files:
/programs/datagrid/751/CDO_AN02_5_###.img
Images:
1 - 218
Beam:
(102.9, 98.5) -> (102.9, 99.33)
Distance:
150.0 -> 149.94
Spacegroup:
P 2 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.25 | 3.4 | 1.25 |
| Low resolution limit | 32.63 | 32.65 | 1.27 |
| Completeness | 62.4 | 99.2 | 2.1 |
| Multiplicity | 5.6 | 6.5 | 1.0 |
| I/sigma | 0.2 | 0.6 | -0.1 |
| Rmerge | 1.56 | 1.029 | 0.0 |
| CC half | 0.271 | 0.214 | 1.0 |
| Anomalous completeness | 50.8 | 96.4 | 0.0 |
| Anomalous multiplicity | 3.2 | 3.2 | 3.2 |
| Cell | 60.1 | 60.77 | 130.54 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Reprocessing failed.
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.
