X-Ray Diffraction data from Cysteine Dioxygenase (CDO), source of 3ELN structure

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: Jan. 28, 2020

Data Access Instructions

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:


Collection Facility:

Beamline 5.0.1 at the Advanced Light Source

Data Creation Date:

April 9, 2009

Related Datasets:


Cite this Dataset

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.

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Dataset Description

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.

Project Members

Name Additional Roles Affiliation While Working on the Project
P. Andrew KarplusData CollectorOregon State University
Kay DiederichsDepositor, PIUniversity of Konstanz

Reprocessing Instructions

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.

Reprocessing Data

About Reprocessing


version unreported





Sequence Length:



SAD - 0.9774






1 - 218


(102.9, 98.5) -> (102.9, 99.33)


150.0 -> 149.94


P 2 2 2


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 unreported

Reprocessing failed.


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.