X-Ray Diffraction data from Human GTPase KRAS G12C Bound to a Novel GDP Competitive Covalent Inhibitor, source of 4NMM structure

Data DOI: 10.15785/SBGRID/162 | ID: 162

Publication DOI: 10.1073/pnas.1404639111

4NMM Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB

Westover Laboratory, UT Southwestern Medical Center

Release Date: Aug. 28, 2015

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/162

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/162 .' (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/162 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/162 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/162 .' (Shanghai Institutes for Biological Sciences, China)

3. After the transfer is completed, please issue the following command to verify data integrity:

'cd 162 ; shasum -c files.sha'

Storage requirements: 6.4G

Biological Sample:

Human GTPase KRAS G12C Bound to a Novel GDP Competitive Covalent Inhibitor

Dataset Type:

X-Ray Diffraction

Subject Composition:

Ligand, Protein

Collection Facility:

APS Beamline 19-ID

Data Creation Date:

June 12, 2013

Related Datasets:

None


Cite this Dataset

Hunter, JC; Westover, KD; Westover, K. 2015. "X-Ray Diffraction data for: Human GTPase KRAS G12C Bound to a Novel GDP Competitive Covalent Inhibitor. PDB Code 4NMM", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/162.

Download Citation

Dataset Description

X-Ray diffraction data collected from a crystal of oncogenic mutant of human GTPase KRAS G12C bound to a novel GDP competitive covalent inhibitor, SML-8-73-1.

Project Members

Name Additional Roles Affiliation While Working on the Project
John C HunterData Collector, DepositorUT Southwestern Medical Center at Dallas
Kenneth D WestoverUT Southwestern Medical Center at Dallas
Ken WestoverPIUT Southwestern Medical Center

Reprocessing Instructions

none

Reprocessing Data

About Reprocessing

Version:

version unreported

Reprocessing failed.

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97921

Sweep:

SWEEP1

Files:

/programs/datagrid/162/SML-7.####.img

Images:

1 - 360

Beam:

(154.5, 159.98) -> (154.5, 161.42)

Distance:

238.29 -> 237.66

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.64 4.44 1.64
Low resolution limit 24.71 24.72 1.67
Completeness 99.9 100.0 99.3
Multiplicity 6.6 6.3 4.5
I/sigma 10.2 28.2 1.1
Rmerge 0.097 0.043 1.195
CC half 0.998 0.998 0.475
Anomalous completeness 98.7 99.4 93.5
Anomalous multiplicity 3.5 3.5 3.5
Cell 39.12 42.14 91.54 90.0 90.0 90.0

Version:

version unreported

Project:

AUTOMATIC

Crystal:

DEFAULT

Sequence Length:

0

Wavelength:

SAD - 0.97921

Sweep:

SWEEP1

Files:

/programs/datagrid/162/SML-7.####.img

Images:

1 - 360

Beam:

(154.5, 159.98) -> (154.5, 161.44)

Distance:

238.29 -> 237.8

Spacegroup:

P 21 21 21

For AUTOMATIC/DEFAULT/SAD:

ALL LOW HIGH
High resolution limit 1.62 4.4 1.62
Low resolution limit 39.13 39.14 1.65
Completeness 99.8 100.0 98.0
Multiplicity 6.5 6.3 4.1
I/sigma 9.9 28.1 0.9
Rmerge 0.099 0.043 1.352
CC half 0.998 0.998 0.429
Anomalous completeness 98.3 99.6 89.0
Anomalous multiplicity 3.5 3.5 3.5
Cell 39.13 42.14 91.55 90.0 90.0 90.0

Version:

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.