Data DOI: 10.15785/SBGRID/83 | ID: 83
Publication DOI: 10.1073/pnas.1419582112
4XC6 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Drennan Laboratory, Massachusetts Institute of Technology
Release Date: 13 May 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/83
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/83 .' (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/83 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/83 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/83 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 83 ; shasum -c files.sha'
Storage requirements: 3.2G
Biological Sample:
Isobutyryl-coenzyme A mutase fused with bound adenosylcobalamin, GDP, and Mg (holo-IcmF/GDP)
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
24ID-C, NE-CAT, APS, Argonne, IL
Data Creation Date:
18 Dec 2011
Related Datasets:
None
Jost, M; Drennan, C. 2015. "X-Ray Diffraction data for: Isobutyryl-coenzyme A mutase fused with bound adenosylcobalamin, GDP, and Mg (holo-IcmF/GDP). PDB Code 4XC6", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/83.
Native dataset
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Marco Jost | Data Collector, Depositor | Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA |
| Catherine Drennan | PI | Massachusetts Institute of Technology |
This data set was collected in 6 individual wedges. The wedges have different quality. The data set was indexed in space group R32 (155) and all frames were processed in XDS. The beam center needs to be set to ORGX=1518.57 ORGY=1523.22. The six wedges were then scaled together with the following resolution limits: wedge 1: 50 - 4 A; wedges 2-5: 50 - 3.35 A; wedge 6: 50 - 3.8 A.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97948
Sweep:
SWEEP6
Files:
/programs/datagrid/83/icmf_adocbl_535_p15_6_###.img
Images:
1 - 20
Beam:
(156.72, 156.32) -> (156.72, 155.66)
Distance:
499.99 -> 502.65
Spacegroup:
H 3 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 3.08 | 8.35 | 3.08 |
| Low resolution limit | 51.55 | 51.55 | 3.13 |
| Completeness | 95.4 | 99.6 | 33.2 |
| Multiplicity | 10.1 | 10.4 | 1.2 |
| I/sigma | 11.9 | 44.3 | 0.3 |
| Rmerge | 0.154 | 0.039 | 1.266 |
| CC half | 0.997 | 0.998 | 0.28 |
| Anomalous completeness | 91.1 | 96.3 | 4.3 |
| Anomalous multiplicity | 5.3 | 5.3 | 5.3 |
| Cell | 318.56 | 318.56 | 343.63 | 90.0 | 90.0 | 120.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97948
Sweep:
SWEEP6
Files:
/programs/datagrid/83/icmf_adocbl_535_p15_6_###.img
Images:
1 - 20
Beam:
(156.72, 156.32) -> (156.72, 155.66)
Distance:
499.99 -> 502.3
Spacegroup:
H 3 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 3.07 | 8.32 | 3.07 |
| Low resolution limit | 51.14 | 51.15 | 3.12 |
| Completeness | 94.8 | 99.6 | 33.2 |
| Multiplicity | 10.2 | 10.4 | 1.2 |
| I/sigma | 11.8 | 44.1 | 0.3 |
| Rmerge | 0.16 | 0.039 | 1.263 |
| CC half | 0.996 | 0.998 | 0.255 |
| Anomalous completeness | 90.3 | 96.3 | 4.0 |
| Anomalous multiplicity | 5.3 | 5.3 | 5.3 |
| Cell | 318.66 | 318.66 | 343.68 | 90.0 | 90.0 | 120.0 |
|---|
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.
