X-Ray Diffraction data from T4 lysozyme with ligated peptide catalyst in complex with teicoplanin A2-2, source of 4PK0 structure

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: June 5, 2015

Data Access Instructions

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:

March 3, 2014

Related Datasets:

None


Cite this Dataset

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.

Download Citation

Dataset Description

Native dataset

Project Members

Name Additional Roles Affiliation While Working on the Project
Richard H. G BaxterData Collector, Depositor, PIYale University

Reprocessing Instructions

Data collected at two different positions on the crystal, 1-60 (B9) and 61-180 (B9b), processed in I222 with HKL2000.

Reprocessing Data

About Reprocessing

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, 159.08)

Distance:

280.0 -> 280.56

Spacegroup:

I 2 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.1 5.7 2.1
Low resolution limit 69.3 69.34 2.14
Completeness 99.6 100.0 94.9
Multiplicity 6.3 6.3 2.4
I/sigma 6.1 13.7 1.1
Rmerge 0.193 0.061 0.6
CC half 0.99 0.998 0.596
Anomalous completeness 97.2 100.0 71.8
Anomalous multiplicity 3.4 3.4 3.4
Cell 55.925 63.322 138.604 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 -> 278.89

Spacegroup:

I 2 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.23 6.05 2.23
Low resolution limit 37.29 37.3 2.27
Completeness 99.5 100.0 97.2
Multiplicity 7.0 6.5 6.1
I/sigma 8.7 21.4 1.5
Rmerge 0.14 0.052 1.112
CC half 0.996 0.998 0.73
Anomalous completeness 98.8 99.8 92.0
Anomalous multiplicity 3.8 3.8 3.8
Cell 56.05 63.37 138.38 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 -> 280.87

Spacegroup:

I 2 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.21 6.0 2.21
Low resolution limit 69.18 69.22 2.25
Completeness 99.4 100.0 96.9
Multiplicity 7.0 6.5 4.7
I/sigma 8.5 21.4 1.3
Rmerge 0.141 0.052 0.958
CC half 0.996 0.998 0.672
Anomalous completeness 98.3 99.8 83.2
Anomalous multiplicity 3.7 3.7 3.7
Cell 56.04 63.36 138.37 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, 159.02)

Distance:

280.0 -> 281.54

Spacegroup:

I 2 2 2

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 2.22 6.02 2.22
Low resolution limit 51.98 52.0 2.26
Completeness 83.6 100.0 8.8
Multiplicity 5.8 6.5 1.1
I/sigma 7.2 14.5 1.0
Rmerge 0.128 0.062 0.0
CC half 0.992 0.998 0.529
Anomalous completeness 74.6 100.0 0.5
Anomalous multiplicity 3.3 3.3 3.3
Cell 56.078 63.355 138.611 90.0 90.0 90.0

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.