Data DOI: 10.15785/SBGRID/118 | ID: 118
Publication DOI: 10.1021/jo501625f
4PK0 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Baxter Laboratory, Yale University
Release Date: 5 Jun 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/118
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/118 .' (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/118 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/118 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/118 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 118 ; shasum -c files.sha'
Storage requirements: 3.2G
Biological Sample:
T4 lysozyme with ligated peptide catalyst in complex with teicoplanin A2-2
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
24-ID-E, NE-CAT, APS, Chicago, IL.
Data Creation Date:
3 Mar 2014
Related Datasets:
None
Baxter, RH. G. 2015. "X-Ray Diffraction data for: T4 lysozyme with ligated peptide catalyst in complex with teicoplanin A2-2. PDB Code 4PK0", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/118.
Native dataset
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Richard H. G Baxter | Data Collector, Depositor, PI | Yale University |
Data collected at two different positions on the crystal, 1-60 (B9) and 61-180 (B9b), processed in I222 with HKL2000.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97923
Sweep:
SWEEP2
Files:
/programs/datagrid/118/T4L3-B9b_1_###.img
Images:
61 - 180
Beam:
(153.52, 158.91) -> (153.52, 159.03)
Distance:
280.0 -> 281.08
Spacegroup:
I 2 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.98 | 5.37 | 1.98 |
| Low resolution limit | 41.99 | 42.0 | 2.01 |
| Completeness | 99.6 | 100.0 | 96.7 |
| Multiplicity | 6.6 | 6.5 | 2.5 |
| I/sigma | 6.4 | 19.8 | 0.5 |
| Rmerge | 0.174 | 0.058 | 1.266 |
| CC half | 0.995 | 0.997 | 0.356 |
| Anomalous completeness | 96.8 | 99.7 | 75.1 |
| Anomalous multiplicity | 3.6 | 3.6 | 3.6 |
| Cell | 56.06 | 63.38 | 138.4 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97923
Sweep:
SWEEP2
Files:
/programs/datagrid/118/T4L3-B9b_1_###.img
Images:
61 - 180
Beam:
(153.52, 158.91) -> (153.52, 159.05)
Distance:
280.0 -> 280.73
Spacegroup:
I 2 2 2
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.99 | 5.4 | 1.99 |
| Low resolution limit | 57.63 | 57.65 | 2.02 |
| Completeness | 99.6 | 100.0 | 96.6 |
| Multiplicity | 6.7 | 6.5 | 2.5 |
| I/sigma | 6.5 | 19.9 | 0.5 |
| Rmerge | 0.174 | 0.057 | 1.298 |
| CC half | 0.995 | 0.998 | 0.315 |
| Anomalous completeness | 97.1 | 99.7 | 76.2 |
| Anomalous multiplicity | 3.6 | 3.6 | 3.6 |
| Cell | 56.06 | 63.38 | 138.41 | 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.
